ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)alanine | C21H30N2O6

N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)alanine

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID58213211

More details:

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

4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)alanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl)alanine [French] [ACD/IUPAC Name]
1820583-71-8 [RN]
195877-38-4 [RN]
2-(((benzyloxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid
2-{[(benzyloxy)carbonyl]amino}-3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}propanoic acid
2306248-70-2 [RN]
MFCD27991361
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 578.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.0±3.0 kJ/mol
    Flash Point: 303.5±25.9 °C
    Index of Refraction: 1.537
    Molar Refractivity: 106.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 1.07
    ACD/BCF (pH 5.5): 1.27
    ACD/KOC (pH 5.5): 11.33
    ACD/LogD (pH 7.4): -0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 339.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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