ChemSpider 2D Image | 1-[(2R)-2-Aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide | C17H25N5O2

1-[(2R)-2-Aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide

  • Molecular FormulaC17H25N5O2
  • Average mass331.413 Da
  • Monoisotopic mass331.200836 Da
  • ChemSpider ID25046499

  • 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-(4-carbamimidoylbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
1-[(2R)-2-Aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide [ACD/IUPAC Name]
1-[(2R)-2-Aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[[4-(aminoiminomethyl)phenyl]methyl]-1-[(2R)-2-amino-1-oxobutyl]-, (2S)- [ACD/Index Name]
(2S)-1-[(2R)-2-aminobutanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
29U
2ZGX
THROMBIN
Thrombin; 2ZGX

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 248.8±7.0 cm3

Click to predict properties on the Chemicalize site


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