ChemSpider 2D Image | MFCD22689381 | C15H20N2O4

MFCD22689381

  • Molecular FormulaC15H20N2O4
  • Average mass292.330 Da
  • Monoisotopic mass292.142303 Da
  • ChemSpider ID28537219

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(4-pyridinyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(4-pyridinyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-(4-pyridinyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-(4-pyridinyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
MFCD22689381
(±)-trans-1-Boc-4-pyridin-4-yl-pyrrolidine-3-carboxylic acid
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxylic acid
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxylic acid
[1255935-12-6] [RN]
1255935-12-6 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 455.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 229.2±28.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 75.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): -0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.85
    ACD/LogD (pH 7.4): -1.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 236.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement