L-Alanine, N-acetyl-, methyl ester

• Formula: C₆H₁₁NO₃
• Molecular weight: 145.1564
• IUPAC Standard InChI: InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m1/s1 Copy

  
• IUPAC Standard InChIKey: FQGVVDYNRHNTCK-SCSAIBSYSA-N Copy
• CAS Registry Number: 3619-02-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • CH3CONHCH(CH3)COOCH3
• Other names: N-Acetyl-L-alanine methyl ester
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Options:
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Ion clustering data

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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⁺ +  = (CH₆N⁺ • )

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

CN^- +  = (CN^- • )

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

 +  = ( • )

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

( • ) +  = ( • 2)

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

( • ) +  = ( •  • )

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

 +  = ( • )

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

C₃H₄N₂⁺ +  = (C₃H₄N₂⁺ • )

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

(C₃H₄N₂⁺ • ) +  = (C₃H₄N₂⁺ • 2)

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

C₃H₁₀N⁺ +  = (C₃H₁₀N⁺ • )

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₆H₁₂NO₃⁺ +  = (C₆H₁₂NO₃⁺ • )

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₆H₁₄N⁺ +  = (C₆H₁₄N⁺ • )

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

(C₆H₁₄N⁺ • ) +  = (C₆H₁₄N⁺ • 2)

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

 +  = ( • )

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

( • ) +  = ( • 2)

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

HS^- +  = (HS^- • )

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

References

Go To: Top, 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, 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]

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 (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]

Notes

Go To: Top, Ion clustering data, References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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