ChemSpider 2D Image | 4-(Ethylsulfonyl)-2-[({1-[2-(methoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinyl}carbonyl)amino]butanoic acid | C19H24N2O8S

4-(Ethylsulfonyl)-2-[({1-[2-(methoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinyl}carbonyl)amino]butanoic acid

  • Molecular FormulaC19H24N2O8S
  • Average mass440.467 Da
  • Monoisotopic mass440.125336 Da
  • ChemSpider ID34709594

More details:

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

4-(Ethylsulfonyl)-2-[({1-[2-(methoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinyl}carbonyl)amino]butanoic acid [ACD/IUPAC Name]
4-(Ethylsulfonyl)-2-[({1-[2-(methoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinyl}carbonyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 4-(éthylsulfonyl)-2-[({1-[2-(méthoxycarbonyl)phényl]-5-oxo-3-pyrrolidinyl}carbonyl)amino]butanoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[4-[[[1-carboxy-3-(ethylsulfonyl)propyl]amino]carbonyl]-2-oxo-1-pyrrolidinyl]-, 1-methyl ester [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: 848.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 466.8±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

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