ChemSpider 2D Image | (3R,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-pyridinyl)-3-pyrrolidinecarboxylic acid | C15H20N2O4

(3R,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-pyridinyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC15H20N2O4
  • Average mass292.330 Da
  • Monoisotopic mass292.142303 Da
  • ChemSpider ID114813169

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-pyridinyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-pyridinyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-(3-pyridinyl)-, 1-(1,1-dimethylethyl) ester, (3R,4R)- [ACD/Index Name]
Acide (3R,4R)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-(3-pyridinyl)-3-pyrrolidinecarboxylique [French] [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: 460.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.3±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 236.6±3.0 cm3

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