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L-Alanine, N-acetyl-, methyl ester


Reaction thermochemistry data

Go To: Top, 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 bullet L-Alanine, N-acetyl-, methyl ester)

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

Quantity Value Units Method Reference Comment
Deltar29.4kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar29.4kcal/molPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3
Quantity Value Units Method Reference Comment
Deltar28.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar28.3cal/mol*KPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3

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

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

Quantity Value Units Method Reference Comment
Deltar19.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar19.8kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar27.0cal/mol*KPHPMSMeot-ner, 1988gas phase

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar29.7kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar27.6cal/mol*KPHPMSMeot-Ner, 1984gas phase

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar30.1kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar31.5cal/mol*KPHPMSMeot-Ner, 1984gas phase

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar40.1kcal/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar35.1cal/mol*KPHPMSMeot-Ner, 1984gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar21.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar31.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar20.4kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar29.5cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar27.5kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Deltar27.8cal/mol*KPHPMSMeot-ner, 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar28.3kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar40.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar23.1kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar27.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar37.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar40.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar26.4kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Deltar28.7cal/mol*KPHPMSMeot-ner, 1988gas phase

References

Go To: Top, Reaction thermochemistry 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, References