ChemSpider 2D Image | N-Carbamoyl-3-fluoro-L-alanine | C4H7FN2O3

N-Carbamoyl-3-fluoro-L-alanine

  • Molecular FormulaC4H7FN2O3
  • Average mass150.108 Da
  • Monoisotopic mass150.044067 Da
  • ChemSpider ID24187907

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-(aminocarbonyl)-3-fluoro- [ACD/Index Name]
N-Carbamoyl-3-fluor-L-alanin [German] [ACD/IUPAC Name]
N-Carbamoyl-3-fluoro-L-alanine [ACD/IUPAC Name]
N-Carbamoyl-3-fluoro-L-alanine [French] [ACD/IUPAC Name]
(2R)-2-(CARBAMOYLAMINO)-3-FLUOROPROPANOIC ACID
(R)-3-fluoro-2-ureidopropanoic acid
756792-46-8 [RN]
L-Alanine, N-(aminocarbonyl)-3-fluoro- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 333.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.4±6.0 kJ/mol
Flash Point: 155.7±27.9 °C
Index of Refraction: 1.474
Molar Refractivity: 29.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 104.6±3.0 cm3

Click to predict properties on the Chemicalize site


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