ChemSpider 2D Image | (4S)-4-Cyano-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C11H16N2O4

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

  • Molecular FormulaC11H16N2O4
  • Average mass240.256 Da
  • Monoisotopic mass240.111008 Da
  • ChemSpider ID28290084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-Cyan-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Cyano-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
(4S)-4-Cyano-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
1-(1,1-Dimethylethyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate
1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]
132622-71-0 [RN]
(2S,?4S)?-4-?cyano-?1,?2-?Pyrrolidinedicarboxy?lic acid 1-?(1,?1-?dimethylethyl) ester,
(2S,4S)-1-(tert-butoxycarbonyl)-4- cyanopyrrolidine-2-carboxylic acid
(2S,4S)-1-(tert-butoxycarbonyl)-4-cyano-2-pyrrolidinecarboxylic acid
(2S,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 423.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±6.0 kJ/mol
    Flash Point: 209.9±28.7 °C
    Index of Refraction: 1.520
    Molar Refractivity: 58.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.14
    ACD/LogD (pH 5.5): -1.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 52.9±5.0 dyne/cm
    Molar Volume: 191.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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