ChemSpider 2D Image | 1-(tert-butyl) 3-methyl (S)-pyrrolidine-1,3-dicarboxylate | C11H19NO4

1-(tert-butyl) 3-methyl (S)-pyrrolidine-1,3-dicarboxylate

  • Molecular FormulaC11H19NO4
  • Average mass229.273 Da
  • Monoisotopic mass229.131409 Da
  • ChemSpider ID23089720

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(tert-butyl) 3-methyl (S)-pyrrolidine-1,3-dicarboxylate
313706-15-9 [RN]
(S)-1-Boc- pyrrolidine-1,3-dicarboxylate
(S)-1-Boc-pyrrolidine-1,3-dicarboxylate
(S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester
(S)-1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate
(S)-1-tert-butyl-3-methylpyrrolidine-1,3-dicarboxy
(S)-1-tert-butyl-3-methylpyrrolidine-1,3-dicarboxylate
[313706-15-9] [RN]
1-O-tert-butyl 3-O-methyl (3S)-pyrrolidine-1,3-dicarboxylate
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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: 1.1±0.1 g/cm3
    Boiling Point: 288.6±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.3±25.4 °C
    Index of Refraction: 1.477
    Molar Refractivity: 57.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 9.44
    ACD/KOC (pH 5.5): 173.62
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 9.44
    ACD/KOC (pH 7.4): 173.62
    Polar Surface Area: 56 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 39.4±3.0 dyne/cm
    Molar Volume: 204.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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