ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,4S)-4-hydroxy-2-({2-[(4-nitrophenyl)amino]ethyl}carbamoyl)-1-pyrrolidinecarboxylate | C18H26N4O6

2-Methyl-2-propanyl (2S,4S)-4-hydroxy-2-({2-[(4-nitrophenyl)amino]ethyl}carbamoyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC18H26N4O6
  • Average mass394.422 Da
  • Monoisotopic mass394.185242 Da
  • ChemSpider ID65097574

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Hydroxy-2-({2-[(4-nitrophényl)amino]éthyl}carbamoyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-[[[2-[(4-nitrophenyl)amino]ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4S)-4-hydroxy-2-({2-[(4-nitrophenyl)amino]ethyl}carbamoyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4S)-4-hydroxy-2-({2-[(4-nitrophenyl)amino]ethyl}carbamoyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.45
ACD/KOC (pH 5.5): 160.32
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.45
ACD/KOC (pH 7.4): 160.32
Polar Surface Area: 137 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

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