ChemSpider 2D Image | (4S)-5,5-Dimethyl-2-{[(phenylacetyl)amino]methyl}-1,3-thiazolidine-4-carboxylic acid | C15H20N2O3S

(4S)-5,5-Dimethyl-2-{[(phenylacetyl)amino]methyl}-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC15H20N2O3S
  • Average mass308.396 Da
  • Monoisotopic mass308.119476 Da
  • ChemSpider ID27445347

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-5,5-Dimethyl-2-{[(phenylacetyl)amino]methyl}-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-5,5-Dimethyl-2-{[(phenylacetyl)amino]methyl}-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-, (4S)- [ACD/Index Name]
Acide (4S)-5,5-diméthyl-2-{[(2-phénylacétyl)amino]méthyl}-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(2RS,4S)-2-[[(Phenylacetyl)amino]methyl]-5,5-dimethylthiazolidine-4-carboxylic Acid (Penilloic Acids of Benzylpenicillin)
(4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
(4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]thiazolidine-4-carboxylic acid
501-34-8 [RN]
73184-06-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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