ChemSpider 2D Image | Benzyl (2R)-2-{[(2R)-2-formyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinecarboxylate | C18H22N2O4

Benzyl (2R)-2-{[(2R)-2-formyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC18H22N2O4
  • Average mass330.378 Da
  • Monoisotopic mass330.157959 Da
  • ChemSpider ID114815501

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-{[(2R)-2-Formyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[(2R)-2-formyl-1-pyrrolidinyl]carbonyl]-, phenylmethyl ester, (2R)- [ACD/Index Name]
Benzyl (2R)-2-{[(2R)-2-formyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2R)-2-{[(2R)-2-formyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 159.10
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.36
ACD/KOC (pH 7.4): 159.10
Polar Surface Area: 67 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

Click to predict properties on the Chemicalize site


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