ChemSpider 2D Image | (2S)-2-Ammonio-3-[(carboxylatocarbonyl)amino]propanoate | C5H7N2O5

(2S)-2-Ammonio-3-[(carboxylatocarbonyl)amino]propanoate

  • Molecular FormulaC5H7N2O5
  • Average mass175.120 Da
  • Monoisotopic mass175.036041 Da
  • ChemSpider ID26330899

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-Ammonio-3-[(carboxylatocarbonyl)amino]propanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-3-[(carboxylatocarbonyl)amino]propanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-3-[(carboxylatocarbonyl)amino]propanoate [French] [ACD/IUPAC Name]
L-Alanine, 3-[(carboxycarbonyl)amino]-, inner salt, ion(1-) [ACD/Index Name]
(2S)-2-azaniumyl-3-(carboxylatoformamido)propanoate
(2S)-2-azaniumyl-3-[(carboxylatocarbonyl)amino]propanoate
N(3)-(carboxylatoformyl)-L-2,3-diaminopropionate(1-)
N(3)-oxalyl-L-2,3-diaminopropanoate
  • Miscellaneous

    • Chemical Class:

      The conjugate base of N(3)-oxalyl-L-2,3-diaminopropionic acid having anionic carboxy groups and a protonated primary amino group; major species at pH 7.3. ChEBI CHEBI:57758
      The conjugate base of N3-oxalyl-L-2,3-diaminopropionic acid having anionic carboxy groups and a protonated primary amino group; major species a; t pH 7.3. ChEBI CHEBI:57758

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

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