CH3CONHCH(CH3)COOCH3

• 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) Copy

  
• IUPAC Standard InChIKey: FQGVVDYNRHNTCK-UHFFFAOYSA-N Copy
• CAS Registry Number: 26629-33-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • L-Alanine, N-acetyl-, methyl ester
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Options:
  • Switch to calorie-based units

Reaction thermochemistry 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

( • ) +  = ( •  • )

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

Bond type: Hydrogen bond (negative ion to hydride)

 +  = ( • )

By formula: C₆H₁₁NO₃ + CH₄O = (C₆H₁₁NO₃ • CH₄O)

Free energy of reaction

HS^- +  = (HS^- • )

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

 +  = ( • )

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

 +  = ( • )

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

CN^- +  = (CN^- • )

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

( • ) +  = ( • 2)

By formula: (C₆H₁₁NO₃ • H₂O) + H₂O = (C₆H₁₁NO₃ • 2H₂O)

 +  = ( • )

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

 +  = ( • )

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

 +  = ( • )

By formula: C₆H₁₁NO₃ + C₄H₅N = (C₆H₁₁NO₃ • C₄H₅N)

Gas phase ion energetics 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 evaluated by: Edward P. Hunter and Sharon G. Lias

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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: John E. Bartmess

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

CN^- +  = (CN^- • )

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

 +  = ( • )

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

 +  = ( • )

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

HS^- +  = (HS^- • )

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

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References

• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  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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