ChemSpider 2D Image | 5-({(2R)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenyl-2-propanyl}amino)-5-oxopentanoic acid | C20H21N3O6

5-({(2R)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenyl-2-propanyl}amino)-5-oxopentanoic acid

  • Molecular FormulaC20H21N3O6
  • Average mass399.397 Da
  • Monoisotopic mass399.143036 Da
  • ChemSpider ID26563724
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

5-({(2R)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenyl-2-propanyl}amino)-5-oxopentanoic acid [ACD/IUPAC Name]
5-({(2R)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenyl-2-propanyl}amino)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-({(2R)-1-[(4-nitrophényl)amino]-1-oxo-3-phényl-2-propanyl}amino)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(1R)-2-[(4-nitrophenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-5-oxo- [ACD/Index Name]
5800-34-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 779.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 425.0±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 46.48
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 295.0±3.0 cm3

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