ChemSpider 2D Image | 2-Methyl-2-propanyl (3S,7S,7aS)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxohexahydro-1H-pyrrolizine-3-carboxylate | C17H28N2O5

2-Methyl-2-propanyl (3S,7S,7aS)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxohexahydro-1H-pyrrolizine-3-carboxylate

  • Molecular FormulaC17H28N2O5
  • Average mass340.415 Da
  • Monoisotopic mass340.199829 Da
  • ChemSpider ID30659241

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,7S,7aS)-7-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxohexahydro-1H-pyrrolizine-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrrolizine-3-carboxylic acid, 7-[[(1,1-dimethylethoxy)carbonyl]amino]hexahydro-5-oxo-, 1,1-dimethylethyl ester, (3S,7S,7aS)- [ACD/Index Name]
2-Methyl-2-propanyl (3S,7S,7aS)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxohexahydro-1H-pyrrolizine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S,7S,7aS)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxohexahydro-1H-pyrrolizin-3-carboxylat [German] [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: 470.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.4±28.4 °C
Index of Refraction: 1.517
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.71
ACD/KOC (pH 5.5): 345.63
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.70
ACD/KOC (pH 7.4): 345.59
Polar Surface Area: 85 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

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