ChemSpider 2D Image | 3-tert-Butoxycarbonylamino-3-(tetrahydro-pyran-4-yl)-propionic acid | C13H23NO5

3-tert-Butoxycarbonylamino-3-(tetrahydro-pyran-4-yl)-propionic acid

  • Molecular FormulaC13H23NO5
  • Average mass273.325 Da
  • Monoisotopic mass273.157623 Da
  • ChemSpider ID20193965

More details:

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

2H-Pyran-4-propanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro- [ACD/Index Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(tetrahydro-2H-pyran-4-yl)propanoic acid [ACD/IUPAC Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(tetrahydro-2H-pyran-4-yl)propansäure [German] [ACD/IUPAC Name]
3-tert-Butoxycarbonylamino-3-(tetrahydro-pyran-4-yl)-propionic acid
887588-90-1 [RN]
Acide 3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-(tétrahydro-2H-pyran-4-yl)propanoïque [French] [ACD/IUPAC Name]
β-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-propanoic acid
(S)-2-Ethylpyrrolidine
[887588-90-1] [RN]
194019-11-9 [RN]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 438.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±6.0 kJ/mol
    Flash Point: 219.2±21.8 °C
    Index of Refraction: 1.486
    Molar Refractivity: 68.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.68
    ACD/LogD (pH 7.4): -1.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 239.1±3.0 cm3

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