ChemSpider 2D Image | Methyl (3S,4S)-3,4-dimethyl-1-{[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamoyl}-3-pyrrolidinecarboxylate | C17H30N2O5

Methyl (3S,4S)-3,4-dimethyl-1-{[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamoyl}-3-pyrrolidinecarboxylate

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID35205146
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(3S,4S)-3,4-Diméthyl-1-{[2-méthyl-3-(2-méthyl-1,3-dioxolan-2-yl)propyl]carbamoyl}-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 3,4-dimethyl-1-[[[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]amino]carbonyl]-, methyl ester, (3S,4S)- [ACD/Index Name]
Methyl (3S,4S)-3,4-dimethyl-1-{[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamoyl}-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3S,4S)-3,4-dimethyl-1-{[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamoyl}-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.9±27.3 °C
Index of Refraction: 1.482
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.69
ACD/KOC (pH 5.5): 214.54
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.69
ACD/KOC (pH 7.4): 214.54
Polar Surface Area: 77 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

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