ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,4S)-2-(dimethylcarbamoyl)-4-hydroxy-1-pyrrolidinecarboxylate | C12H22N2O4

2-Methyl-2-propanyl (2S,4S)-2-(dimethylcarbamoyl)-4-hydroxy-1-pyrrolidinecarboxylate

  • Molecular FormulaC12H22N2O4
  • Average mass258.314 Da
  • Monoisotopic mass258.157959 Da
  • ChemSpider ID92170313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-2-(Diméthylcarbamoyl)-4-hydroxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-hydroxy-, 1,1-dimethylethyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4S)-2-(dimethylcarbamoyl)-4-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4S)-2-(dimethylcarbamoyl)-4-hydroxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
352278-31-0 [RN]
MFCD32263144
tert-butyl (2S,4S)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 395.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 192.9±27.9 °C
Index of Refraction: 1.515
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.81
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.81
Polar Surface Area: 70 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 219.0±3.0 cm3

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