ChemSpider 2D Image | 3-{[(Benzyloxy)carbonyl]amino}-3-[1-(tert-butoxycarbonyl)piperidin-3-yl]propanoic acid | C21H30N2O6

3-{[(Benzyloxy)carbonyl]amino}-3-[1-(tert-butoxycarbonyl)piperidin-3-yl]propanoic acid

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID21373547

More details:

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

1-[(1,1-Dimethylethoxy)carbonyl]-β-[[(phenylmethoxy)carbonyl]amino]-3-piperidinepropanoic acid
3-{[(Benzyloxy)carbonyl]amino}-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid [ACD/IUPAC Name]
3-{[(Benzyloxy)carbonyl]amino}-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propansäure [German] [ACD/IUPAC Name]
3-{[(Benzyloxy)carbonyl]amino}-3-[1-(tert-butoxycarbonyl)piperidin-3-yl]propanoic acid
372144-13-3 [RN]
3-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
Acide 3-{[(benzyloxy)carbonyl]amino}-3-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pipéridinyl)propanoïque [French] [ACD/IUPAC Name]
[372144-13-3] [RN]
3-(((benzyloxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)piperidin-3-yl)propanoic acid
3-(1-Benzyloxycarbonylamino-2-carboxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 581.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.5±3.0 kJ/mol
    Flash Point: 305.5±25.9 °C
    Index of Refraction: 1.541
    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: 3.08
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 7.11
    ACD/KOC (pH 5.5): 61.16
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.02
    Polar Surface Area: 105 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 337.4±3.0 cm3

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