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

(3S)-1-Benzyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidiniumcarboxylate

  • Molecular FormulaC17H24N2O4
  • Average mass320.384 Da
  • Monoisotopic mass320.173615 Da
  • ChemSpider ID32790495

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Benzyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidiniumcarboxylat [German] [ACD/IUPAC Name]
(3S)-1-Benzyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidiniumcarboxylate [ACD/IUPAC Name]
(3S)-1-Benzyl-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-pyrrolidiniumcarboxylate [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, (3S)- [ACD/Index Name]

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

Density:
Boiling Point: 474.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.5±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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