ChemSpider 2D Image | 1-(Methylsulfonyl)prolyl-beta-alanine | C9H16N2O5S

1-(Methylsulfonyl)prolyl-β-alanine

  • Molecular FormulaC9H16N2O5S
  • Average mass264.299 Da
  • Monoisotopic mass264.078003 Da
  • ChemSpider ID33248276

More details:

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

1-(Methylsulfonyl)prolyl-β-alanin [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)prolyl-β-alanine [ACD/IUPAC Name]
1-(Méthylsulfonyl)prolyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, 1-(methylsulfonyl)prolyl- [ACD/Index Name]
3-[(1-METHANESULFONYLPYRROLIDIN-2-YL)FORMAMIDO]PROPANOIC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.559
Molar Refractivity: 59.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 185.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement