ChemSpider 2D Image | 3-Ethyl 1-(2-methyl-2-propanyl) (3R)-4-oxo-1,3-pyrrolidinedicarboxylate | C12H19NO5

3-Ethyl 1-(2-methyl-2-propanyl) (3R)-4-oxo-1,3-pyrrolidinedicarboxylate

  • Molecular FormulaC12H19NO5
  • Average mass257.283 Da
  • Monoisotopic mass257.126312 Da
  • ChemSpider ID32788565

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-Oxo-1,3-pyrrolidinedicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R)- [ACD/Index Name]
3-Ethyl 1-(2-methyl-2-propanyl) (3R)-4-oxo-1,3-pyrrolidinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-(3R)-4-oxo-1,3-pyrrolidindicarboxylat [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: 348.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 164.3±27.9 °C
Index of Refraction: 1.487
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 73.39
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 73.37
Polar Surface Area: 73 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 217.6±3.0 cm3

Click to predict properties on the Chemicalize site


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