L-Alanine, N-acetyl-, methyl ester


Reaction thermochemistry data

Go To: Top, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Chlorine anion + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion • L-Alanine, N-acetyl-, methyl ester)

By formula: Cl- + C6H11NO3 = (Cl- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr29.4kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Δr29.4kcal/molPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3
Quantity Value Units Method Reference Comment
Δr28.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Δr28.3cal/mol*KPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3

(Chlorine anion • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (Cl- • C6H11NO3) + C6H11NO3 = (Cl- • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Δr19.8kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Δr27.0cal/mol*KPHPMSMeot-ner, 1988gas phase

C3H10N+ + L-Alanine, N-acetyl-, methyl ester = (C3H10N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H10N+ + C6H11NO3 = (C3H10N+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr29.7kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KPHPMSMeot-Ner, 1984gas phase

C6H12NO3+ + L-Alanine, N-acetyl-, methyl ester = (C6H12NO3+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H12NO3+ + C6H11NO3 = (C6H12NO3+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr30.1kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr31.5cal/mol*KPHPMSMeot-Ner, 1984gas phase

CH6N+ + L-Alanine, N-acetyl-, methyl ester = (CH6N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: CH6N+ + C6H11NO3 = (CH6N+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr40.1kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr35.1cal/mol*KPHPMSMeot-Ner, 1984gas phase

(MeCO2 anion • Water) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • L-Alanine, N-acetyl-, methyl ester • Water)

By formula: (C2H3O2- • H2O) + C6H11NO3 = (C2H3O2- • C6H11NO3 • H2O)

Quantity Value Units Method Reference Comment
Δr27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C3H4N2+ • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C3H4N2+ • C6H11NO3) + C6H11NO3 = (C3H4N2+ • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr21.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr31.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C6H14N+ • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C6H14N+ • C6H11NO3) + C6H11NO3 = (C6H14N+ • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr20.4kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr29.5cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(MeCO2 anion • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C2H3O2- • C6H11NO3) + C6H11NO3 = (C2H3O2- • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

HS- + L-Alanine, N-acetyl-, methyl ester = (HS- • L-Alanine, N-acetyl-, methyl ester)

By formula: HS- + C6H11NO3 = (HS- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr27.5kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSMeot-ner, 1988gas phase

CH3CONHCH(CH3)COOCH3 + L-Alanine, N-acetyl-, methyl ester = (CH3CONHCH(CH3)COOCH3 • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H11NO3 + C6H11NO3 = (C6H11NO3 • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr28.3kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr40.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

imidazolide anion + L-Alanine, N-acetyl-, methyl ester = (imidazolide anion • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H3N2- + C6H11NO3 = (C3H3N2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr23.1kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C3H4N2+ + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H4N2+ + C6H11NO3 = (C3H4N2+ • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr27.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C6H14N+ + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H14N+ + C6H11NO3 = (C6H14N+ • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr37.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr40.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

MeCO2 anion + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • L-Alanine, N-acetyl-, methyl ester)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

CN- + L-Alanine, N-acetyl-, methyl ester = (CN- • L-Alanine, N-acetyl-, methyl ester)

By formula: CN- + C6H11NO3 = (CN- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr26.4kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr28.7cal/mol*KPHPMSMeot-ner, 1988gas phase

Ion clustering data

Go To: Top, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH6N+ + L-Alanine, N-acetyl-, methyl ester = (CH6N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: CH6N+ + C6H11NO3 = (CH6N+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr40.1kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr35.1cal/mol*KPHPMSMeot-Ner, 1984gas phase

CN- + L-Alanine, N-acetyl-, methyl ester = (CN- • L-Alanine, N-acetyl-, methyl ester)

By formula: CN- + C6H11NO3 = (CN- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr26.4kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr28.7cal/mol*KPHPMSMeot-ner, 1988gas phase

MeCO2 anion + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • L-Alanine, N-acetyl-, methyl ester)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(MeCO2 anion • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C2H3O2- • C6H11NO3) + C6H11NO3 = (C2H3O2- • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(MeCO2 anion • Water) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • L-Alanine, N-acetyl-, methyl ester • Water)

By formula: (C2H3O2- • H2O) + C6H11NO3 = (C2H3O2- • C6H11NO3 • H2O)

Quantity Value Units Method Reference Comment
Δr27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

imidazolide anion + L-Alanine, N-acetyl-, methyl ester = (imidazolide anion • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H3N2- + C6H11NO3 = (C3H3N2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr23.1kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C3H4N2+ + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H4N2+ + C6H11NO3 = (C3H4N2+ • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr27.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C3H4N2+ • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C3H4N2+ • C6H11NO3) + C6H11NO3 = (C3H4N2+ • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr21.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr31.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C3H10N+ + L-Alanine, N-acetyl-, methyl ester = (C3H10N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H10N+ + C6H11NO3 = (C3H10N+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr29.7kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KPHPMSMeot-Ner, 1984gas phase

C6H12NO3+ + L-Alanine, N-acetyl-, methyl ester = (C6H12NO3+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H12NO3+ + C6H11NO3 = (C6H12NO3+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr30.1kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr31.5cal/mol*KPHPMSMeot-Ner, 1984gas phase

C6H14N+ + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H14N+ + C6H11NO3 = (C6H14N+ • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr37.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr40.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C6H14N+ • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C6H14N+ • C6H11NO3) + C6H11NO3 = (C6H14N+ • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr20.4kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr29.5cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

Chlorine anion + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion • L-Alanine, N-acetyl-, methyl ester)

By formula: Cl- + C6H11NO3 = (Cl- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr29.4kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Δr29.4kcal/molPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3
Quantity Value Units Method Reference Comment
Δr28.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Δr28.3cal/mol*KPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3

(Chlorine anion • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (Cl- • C6H11NO3) + C6H11NO3 = (Cl- • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Δr19.8kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Δr27.0cal/mol*KPHPMSMeot-ner, 1988gas phase

HS- + L-Alanine, N-acetyl-, methyl ester = (HS- • L-Alanine, N-acetyl-, methyl ester)

By formula: HS- + C6H11NO3 = (HS- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr27.5kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSMeot-ner, 1988gas phase

References

Go To: Top, Reaction thermochemistry data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M., Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole, J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner), The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives, J. Am. Chem. Soc., 1984, 106, 2, 278, https://doi.org/10.1021/ja00314a003 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Ion clustering data, References