ChemSpider 2D Image | 1-[(Benzyloxy)carbonyl]prolyl-L-phenylalanine | C22H24N2O5

1-[(Benzyloxy)carbonyl]prolyl-L-phenylalanine

  • Molecular FormulaC22H24N2O5
  • Average mass396.436 Da
  • Monoisotopic mass396.168518 Da
  • ChemSpider ID23120382

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[(Benzyloxy)carbonyl]prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
1-[(Benzyloxy)carbonyl]prolyl-L-phenylalanine [ACD/IUPAC Name]
1-[(Benzyloxy)carbonyl]prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 1-[(phenylmethoxy)carbonyl]prolyl- [ACD/Index Name]
2-((S)-1-Carboxy-2-phenyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL441520/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

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