ChemSpider 2D Image | Benzyl {(2S)-1-[(2S)-2-formyl-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamate | C16H20N2O4

Benzyl {(2S)-1-[(2S)-2-formyl-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamate

  • Molecular FormulaC16H20N2O4
  • Average mass304.341 Da
  • Monoisotopic mass304.142303 Da
  • ChemSpider ID21247035
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(2S)-1-[(2S)-2-Formyl-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(2S)-1-[(2S)-2-formyl-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamate [ACD/IUPAC Name]
Benzyl-{(2S)-1-[(2S)-2-formyl-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[(2S)-2-formyl-1-pyrrolidinyl]-1-methyl-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.13
ACD/KOC (pH 5.5): 169.52
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.13
ACD/KOC (pH 7.4): 169.50
Polar Surface Area: 76 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 240.5±3.0 cm3

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