ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate | C11H19NO4S

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID34066486

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Sulfanyl-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-mercapto-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-sulfanyl-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(4S)-1-Boc-4-mercapto-L-proline methyl ester
1-(tert-butyl) 2-methyl (2S,4S)-4-mercaptopyrrolidine-1,2-dicarboxylate
1252640-74-6 [RN]
1438241-12-3 [RN]
1675245-21-2 [RN]
1-tert-butyl 2-methyl (2s,4s)-4-sulfanylpyrrolidine-1,2-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 336.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 157.4±27.9 °C
    Index of Refraction: 1.513
    Molar Refractivity: 66.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): 1.94
    ACD/BCF (pH 5.5): 17.44
    ACD/KOC (pH 5.5): 269.35
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.39
    ACD/KOC (pH 7.4): 268.62
    Polar Surface Area: 95 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 42.4±5.0 dyne/cm
    Molar Volume: 220.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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