ChemSpider 2D Image | Benzyl (3R,4S)-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate | C13H18N2O3

Benzyl (3R,4S)-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H18N2O3
  • Average mass250.294 Da
  • Monoisotopic mass250.131744 Da
  • ChemSpider ID32799296

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-Amino-4-(hydroxyméthyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-amino-4-(hydroxymethyl)-, phenylmethyl ester, (3R,4S)- [ACD/Index Name]
Benzyl (3R,4S)-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3R,4S)-3-amino-4-(hydroxymethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
252770-09-5 [RN]
benzyl cis-3-amino-4-(hydroxymethyl)pyrrolidine-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: 414.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.3±27.3 °C
Index of Refraction: 1.572
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 204.2±3.0 cm3

Click to predict properties on the Chemicalize site


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