ChemSpider 2D Image | N-(Phenylcarbamoyl)-D-valine | C12H16N2O3

N-(Phenylcarbamoyl)-D-valine

  • Molecular FormulaC12H16N2O3
  • Average mass236.267 Da
  • Monoisotopic mass236.116089 Da
  • ChemSpider ID48876093

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

827612-16-8 [RN]
D-VALINE, N-[(PHENYLAMINO)CARBONYL]- [ACD/Index Name]
N-(Phenylcarbamoyl)-D-valin [German] [ACD/IUPAC Name]
N-(Phenylcarbamoyl)-D-valine [ACD/IUPAC Name]
N-(Phénylcarbamoyl)-D-valine [French] [ACD/IUPAC Name]
N-[(Phenylamino)carbonyl]-D-valine
(R)-3-Methyl-2-(3-phenylureido)butanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 188.3±25.7 °C
Index of Refraction: 1.580
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 192.7±3.0 cm3

Click to predict properties on the Chemicalize site


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