ChemSpider 2D Image | (2S,4R)-tert-butyl 2-cyano-4-hydroxypyrrolidine-1-carboxylate | C10H16N2O3

(2S,4R)-tert-butyl 2-cyano-4-hydroxypyrrolidine-1-carboxylate

  • Molecular FormulaC10H16N2O3
  • Average mass212.246 Da
  • Monoisotopic mass212.116089 Da
  • ChemSpider ID21393536

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-2-Cyano-4-hydroxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(2S,4R)-tert-butyl 2-cyano-4-hydroxypyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 2-cyano-4-hydroxy-, 1,1-dimethylethyl ester, (2S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4R)-2-cyano-4-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4R)-2-cyan-4-hydroxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
483366-12-7 [RN]
tert-Butyl (2S,4R)-2-cyano-4-hydroxypyrrolidine-1-carboxylate
(2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxypyrolidine-2-carbonitrile
(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
[483366-12-7] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 361.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±6.0 kJ/mol
    Flash Point: 172.4±27.9 °C
    Index of Refraction: 1.512
    Molar Refractivity: 53.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.87
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.17
    ACD/LogD (pH 7.4): -0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 17.17
    Polar Surface Area: 74 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 178.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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