ChemSpider 2D Image | 1-[(2R)-2-Methyl-3-sulfanylpropanoyl]proline | C9H15NO3S

1-[(2R)-2-Methyl-3-sulfanylpropanoyl]proline

  • Molecular FormulaC9H15NO3S
  • Average mass217.285 Da
  • Monoisotopic mass217.077271 Da
  • ChemSpider ID23230355
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1-[(2R)-2-Methyl-3-sulfanylpropanoyl]prolin [German] [ACD/IUPAC Name]
1-[(2R)-2-Methyl-3-sulfanylpropanoyl]proline [ACD/IUPAC Name]
1-[(2R)-2-Méthyl-3-sulfanylpropanoyl]proline [French] [ACD/IUPAC Name]
Proline, 1-[(2R)-3-mercapto-2-methyl-1-oxopropyl]- [ACD/Index Name]
1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid
1-[(2R)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 427.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 212.1±27.3 °C
Index of Refraction: 1.551
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 170.7±3.0 cm3

Click to predict properties on the Chemicalize site






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