ChemSpider 2D Image | Methyl (1R)-1-{(S)-(3-fluorophenyl)[(methoxycarbonyl)amino]methyl}-2-oxocyclopentanecarboxylate | C16H18FNO5

Methyl (1R)-1-{(S)-(3-fluorophenyl)[(methoxycarbonyl)amino]methyl}-2-oxocyclopentanecarboxylate

  • Molecular FormulaC16H18FNO5
  • Average mass323.316 Da
  • Monoisotopic mass323.116913 Da
  • ChemSpider ID21199851

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R)-1-{(S)-(3-Fluorophényl)[(méthoxycarbonyl)amino]méthyl}-2-oxocyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-[(S)-(3-fluorophenyl)[(methoxycarbonyl)amino]methyl]-2-oxo-, methyl ester, (1R)- [ACD/Index Name]
Methyl (1R)-1-{(S)-(3-fluorophenyl)[(methoxycarbonyl)amino]methyl}-2-oxocyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-(1R)-1-{(S)-(3-fluorphenyl)[(methoxycarbonyl)amino]methyl}-2-oxocyclopentancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 441.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.5±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 79.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.71
ACD/KOC (pH 5.5): 159.15
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.98
ACD/KOC (pH 7.4): 145.84
Polar Surface Area: 85 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 249.2±7.0 cm3

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