ChemSpider 2D Image | (3S,4S)-1-Benzyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidinecarboxylic acid | C17H24N2O4

(3S,4S)-1-Benzyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC17H24N2O4
  • Average mass320.384 Da
  • Monoisotopic mass320.173615 Da
  • ChemSpider ID96445190

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-Benzyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-Benzyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-benzyl-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 79 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

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