ChemSpider 2D Image | 2-Methyl-3-{methyl[1-(methylsulfonyl)prolyl]amino}propanoic acid | C11H20N2O5S

2-Methyl-3-{methyl[1-(methylsulfonyl)prolyl]amino}propanoic acid

  • Molecular FormulaC11H20N2O5S
  • Average mass292.352 Da
  • Monoisotopic mass292.109283 Da
  • ChemSpider ID34042126

More details:

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

2-Methyl-3-{methyl[1-(methylsulfonyl)prolyl]amino}propanoic acid [ACD/IUPAC Name]
2-Methyl-3-{methyl[1-(methylsulfonyl)prolyl]amino}propansäure [German] [ACD/IUPAC Name]
Acide 2-méthyl-3-{méthyl[1-(méthylsulfonyl)prolyl]amino}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-3-[methyl[[1-(methylsulfonyl)-2-pyrrolidinyl]carbonyl]amino]- [ACD/Index Name]
3-[1-(1-METHANESULFONYLPYRROLIDIN-2-YL)-N-METHYLFORMAMIDO]-2-METHYLPROPANOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 259.8±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


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