ChemSpider 2D Image | (2S)-5-Amino-2-{[(2E)-3-methyl-2-hexenoyl]amino}-5-oxopentanoate | C12H19N2O4

(2S)-5-Amino-2-{[(2E)-3-methyl-2-hexenoyl]amino}-5-oxopentanoate

  • Molecular FormulaC12H19N2O4
  • Average mass255.291 Da
  • Monoisotopic mass255.135025 Da
  • ChemSpider ID128919932

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Amino-2-{[(2E)-3-methyl-2-hexenoyl]amino}-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-5-Amino-2-{[(2E)-3-methyl-2-hexenoyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
(2S)-5-Amino-2-{[(2E)-3-méthyl-2-hexenoyl]amino}-5-oxopentanoate [French] [ACD/IUPAC Name]
L-Glutamine, N2-[(2E)-3-methyl-1-oxo-2-hexen-1-yl]-, ion(1-) [ACD/Index Name]
N(2)-[(2E)-3-methylhex-2-enoyl]-L-glutaminate
  • Miscellaneous

    • Chemical Class:

      An N(2)-acyl-L-glutaminate resulting from the deprotonation of the carboxy group of N(2)-[(2E)-3-methylhex-2-enoyl]-L-glutamine. The major species at pH 7.3. ChEBI CHEBI:143557

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

Density:
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

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