ChemSpider 2D Image | (2R)-1-{(2S)-2-[(3-Chlorobenzyl)carbamoyl]-1-pyrrolidinyl}-1-oxo-3-phenyl-2-propanaminium | C21H25ClN3O2

(2R)-1-{(2S)-2-[(3-Chlorobenzyl)carbamoyl]-1-pyrrolidinyl}-1-oxo-3-phenyl-2-propanaminium

  • Molecular FormulaC21H25ClN3O2
  • Average mass386.895 Da
  • Monoisotopic mass386.162994 Da
  • ChemSpider ID116084091

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-{(2S)-2-[(3-Chlorbenzyl)carbamoyl]-1-pyrrolidinyl}-1-oxo-3-phenyl-2-propanaminium [German] [ACD/IUPAC Name]
(2R)-1-{(2S)-2-[(3-Chlorobenzyl)carbamoyl]-1-pyrrolidinyl}-1-oxo-3-phenyl-2-propanaminium [ACD/IUPAC Name]
(2R)-1-{(2S)-2-[(3-Chlorobenzyl)carbamoyl]-1-pyrrolidinyl}-1-oxo-3-phényl-2-propanaminium [French] [ACD/IUPAC Name]
L-Prolinamide, D-phenylalanyl-N-[(3-chlorophenyl)methyl]-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.56
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 21.26
ACD/KOC (pH 7.4): 221.54
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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