ChemSpider 2D Image | 2-({(2S)-1-Amino-5-[(2-chloroethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoic acid | C15H19ClN4O4

2-({(2S)-1-Amino-5-[(2-chloroethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoic acid

  • Molecular FormulaC15H19ClN4O4
  • Average mass354.789 Da
  • Monoisotopic mass354.109497 Da
  • ChemSpider ID28487992

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({(2S)-1-Amino-5-[(2-chlorethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoesäure [German] [ACD/IUPAC Name]
2-({(2S)-1-Amino-5-[(2-chloroethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoic acid [ACD/IUPAC Name]
2-{[(2s)-1-Amino-5-{[(1z)-2-Chloroethanimidoyl]amino}-1-Oxopentan-2-Yl]carbamoyl}benzoic Acid
Acide 2-({(2S)-1-amino-5-[(2-chloroethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[(1S)-1-(aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 247.0±7.0 cm3

Click to predict properties on the Chemicalize site


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