ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-cyano-3-hydroxy-1-pyrrolidinecarboxylate | C10H16N2O3

2-Methyl-2-propanyl (3S)-3-cyano-3-hydroxy-1-pyrrolidinecarboxylate

  • Molecular FormulaC10H16N2O3
  • Average mass212.246 Da
  • Monoisotopic mass212.116089 Da
  • ChemSpider ID97473763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Cyano-3-hydroxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-cyano-3-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-cyan-3-hydroxy-1-pyrrolidincarboxylat [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: 355.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.5±6.0 kJ/mol
Flash Point: 168.6±27.9 °C
Index of Refraction: 1.515
Molar Refractivity: 53.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.25
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.24
Polar Surface Area: 74 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 177.4±5.0 cm3

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