ChemSpider 2D Image | (2S)-2-Acetamido-5-(carbamoylamino)pentanoate | C8H14N3O4

(2S)-2-Acetamido-5-(carbamoylamino)pentanoate

  • Molecular FormulaC8H14N3O4
  • Average mass216.215 Da
  • Monoisotopic mass216.098984 Da
  • ChemSpider ID26331351

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Acetamido-5-(carbamoylamino)pentanoat [German] [ACD/IUPAC Name]
(2S)-2-Acetamido-5-(carbamoylamino)pentanoate [ACD/IUPAC Name]
(2S)-2-Acétamido-5-(carbamoylamino)pentanoate [French] [ACD/IUPAC Name]
L-Ornithine, N2-acetyl-N5-(aminocarbonyl)-, ion(1-) [ACD/Index Name]
(2S)-2-acetamido-5-(carbamoylamino)pentanoate; N(2)-acetyl-N(5)-carbamoyl-L-ornithinate
N(2)-acetyl-L-citrulline
N(2)-acetyl-N(5)-carbamoyl-L-ornithinate
N-acetyl-L-citrullinate
  • Miscellaneous

    • Chemical Class:

      An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-citrulline, obtained by deprotonati; on of the carboxy group; major species at pH 7.3. ChEBI CHEBI:58765
      An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-citrulline, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:58765

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

Density:
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -3.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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