ChemSpider 2D Image | (4R)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline | C13H16N2O4

(4R)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline

  • Molecular FormulaC13H16N2O4
  • Average mass264.277 Da
  • Monoisotopic mass264.110992 Da
  • ChemSpider ID23960776

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-Amino-1-[(benzyloxy)carbonyl]-L-prolin [German] [ACD/IUPAC Name]
(4R)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline [ACD/IUPAC Name]
(4R)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester, (2S,4R)- [ACD/Index Name]
(2s,4r)-1-cbz-4-aminopyrrolidine-2-carboxylic acid
(2S,4R)-1-CBZ-4-AMINO-PYRROLIDINE-2-CARBOXYLIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.6±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 197.9±3.0 cm3

Click to predict properties on the Chemicalize site


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