ChemSpider 2D Image | 4-{Methyl[1-(methylsulfonyl)prolyl]amino}butanoic acid | C11H20N2O5S

4-{Methyl[1-(methylsulfonyl)prolyl]amino}butanoic acid

  • Molecular FormulaC11H20N2O5S
  • Average mass292.352 Da
  • Monoisotopic mass292.109283 Da
  • ChemSpider ID38127291

More details:

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

4-{Methyl[1-(methylsulfonyl)prolyl]amino}butanoic acid [ACD/IUPAC Name]
4-{Methyl[1-(methylsulfonyl)prolyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{méthyl[1-(méthylsulfonyl)prolyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[methyl[[1-(methylsulfonyl)-2-pyrrolidinyl]carbonyl]amino]- [ACD/Index Name]
4-[1-(1-METHANESULFONYLPYRROLIDIN-2-YL)-N-METHYLFORMAMIDO]BUTANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 524.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.3±6.0 kJ/mol
Flash Point: 270.8±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 216.6±5.0 cm3

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