ChemSpider 2D Image | (4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-proline | C11H19NO4S

(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-proline

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID34066312

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-prolin [German] [ACD/IUPAC Name]
(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-proline [ACD/IUPAC Name]
(4R)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-(méthylsulfanyl)-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(methylthio)-, 1-(1,1-dimethylethyl) ester, (2S,4R)- [ACD/Index Name]
(2S,4R)-1-(tert-butoxycarbonyl)-4-(methylthio)pyrrolidine-2-carboxylic acid
(2s,4r)-1-[(tert-butoxy)carbonyl]-4-(methylsulfanyl)pyrrolidine-2-carboxylic acid
(4R)-1-Boc-4-methylthiol-L-proline
(Methylsulfanyl)pyrrolidine-2-carboxylic acid
876953-58-1 [RN]
MFCD23106235

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 401.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±6.0 kJ/mol
    Flash Point: 196.7±28.7 °C
    Index of Refraction: 1.538
    Molar Refractivity: 66.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.65
    ACD/LogD (pH 7.4): -1.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 211.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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