ChemSpider 2D Image | D-Phenylalanyl-N-benzyl-L-prolinamide | C21H25N3O2

D-Phenylalanyl-N-benzyl-L-prolinamide

  • Molecular FormulaC21H25N3O2
  • Average mass351.442 Da
  • Monoisotopic mass351.194672 Da
  • ChemSpider ID23200354
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

D-Phenylalanyl-N-benzyl-L-prolinamid [German] [ACD/IUPAC Name]
D-Phenylalanyl-N-benzyl-L-prolinamide [ACD/IUPAC Name]
D-Phénylalanyl-N-benzyl-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, D-phenylalanyl-N-(phenylmethyl)- [ACD/Index Name]
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-benzylpyrrolidine-2-carboxamide
(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid benzylamide
53U
628262-81-7 [RN]
CHEMBL116597

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 633.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.6±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 6.87
ACD/KOC (pH 7.4): 98.66
Polar Surface Area: 75 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 293.1±3.0 cm3

Click to predict properties on the Chemicalize site






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