ChemSpider 2D Image | (R)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)malonic acid | C12H19NO6

(R)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)malonic acid

  • Molecular FormulaC12H19NO6
  • Average mass273.282 Da
  • Monoisotopic mass273.121246 Da
  • ChemSpider ID57425231

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)malonic acid
[(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]malonic acid [ACD/IUPAC Name]
[(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]malonsäure [German] [ACD/IUPAC Name]
1228312-13-7 [RN]
2-[(3R)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidinyl]propanedioic acid
Acide [(3R)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(3R)-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]- [ACD/Index Name]
(R)-2-[1-(tert-Butoxycarbonyl)pyrrolidin-3-yl]malonic acid
MFCD28001659

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 458.7±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 78.8±6.0 kJ/mol
    Flash Point: 231.2±21.8 °C
    Index of Refraction: 1.525
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 208.3±3.0 cm3

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