ChemSpider 2D Image | 1-[(2R)-2-Aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide | C16H22ClN3O2

1-[(2R)-2-Aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide

  • Molecular FormulaC16H22ClN3O2
  • Average mass323.818 Da
  • Monoisotopic mass323.140045 Da
  • ChemSpider ID25048704

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2R)-2-Aminobutanoyl]-N-(3-chlorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
1-[(2R)-2-Aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide [ACD/IUPAC Name]
1-[(2R)-2-Aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2R)-2-amino-1-oxobutyl]-N-[(3-chlorophenyl)methyl]-, (2S)- [ACD/Index Name]
(2S)-1-[(2R)-2-aminobutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
19U

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.11
Polar Surface Area: 75 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 260.8±3.0 cm3

Click to predict properties on the Chemicalize site


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