ChemSpider 2D Image | 4-Hydroxy-4-methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C11H19NO5

4-Hydroxy-4-methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC11H19NO5
  • Average mass245.272 Da
  • Monoisotopic mass245.126328 Da
  • ChemSpider ID57423229

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-4-methyl-, 1-(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
1367552-84-8 [RN]
4-Hydroxy-4-methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
4-Hydroxy-4-methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
4-Hydroxy-4-méthyl-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
(2S)-1-(t-Butoxycarbonyl)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
(2S)-1-(tert-Butoxycarbonyl)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
(2S)-1-[(tert-butoxy)carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
MFCD29917033

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 387.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±6.0 kJ/mol
    Flash Point: 188.2±27.9 °C
    Index of Refraction: 1.520
    Molar Refractivity: 59.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.17
    ACD/LogD (pH 5.5): -1.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.04
    ACD/LogD (pH 7.4): -2.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 52.0±3.0 dyne/cm
    Molar Volume: 194.6±3.0 cm3

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