ChemSpider 2D Image | 1-[(tert-butoxy)carbonyl]pyrrolidine-2,5-dicarboxylic acid | C11H17NO6

1-[(tert-butoxy)carbonyl]pyrrolidine-2,5-dicarboxylic acid

  • Molecular FormulaC11H17NO6
  • Average mass259.256 Da
  • Monoisotopic mass259.105591 Da
  • ChemSpider ID35468160

More details:

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

1,2,5-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
1-[(tert-butoxy)carbonyl]pyrrolidine-2,5-dicarboxylic acid
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-pyrrolidindicarbonsäure [German] [ACD/IUPAC Name]
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-pyrrolidinedicarboxylic acid [ACD/IUPAC Name]
2182592-57-8 [RN]
Acide 1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2,5-pyrrolidinedicarboxylique [French] [ACD/IUPAC Name]
1-(tert-butoxycarbonyl)pyrrolidine-2,5-dicarboxylic acid
MFCD24543785
Pyrrolidine-1,2,5-tricarboxylic acid 1-tert-butyl ester

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 452.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±6.0 kJ/mol
    Flash Point: 227.2±28.7 °C
    Index of Refraction: 1.529
    Molar Refractivity: 59.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.08
    ACD/LogD (pH 5.5): -2.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 191.5±3.0 cm3

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