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

3-{1-[(Benzyloxy)carbonyl]piperidin-2-yl}-3-[(tert-butoxycarbonyl)amino]propanoic acid

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID21373540

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

2-Piperidinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
3-{1-[(Benzyloxy)carbonyl]-2-piperidinyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
3-{1-[(Benzyloxy)carbonyl]-2-piperidinyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
3-{1-[(Benzyloxy)carbonyl]piperidin-2-yl}-3-[(tert-butoxycarbonyl)amino]propanoic acid
886362-34-1 [RN]
Acide 3-{1-[(benzyloxy)carbonyl]-2-pipéridinyl}-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
1H-pyrrolo[2,3-b]pyridin-5-amine [ACD/Index Name] [ACD/IUPAC Name]
1H-PYRROLO[2,3-B]PYRIDIN-5-YLAMINE
2-(1-tert-Butoxycarbonylamino-2-carboxy-ethyl)-piperidine-1-carboxylic acid benzyl ester
2-Piperidinepropanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(phenylmethoxy)carbonyl]-
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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: 581.9±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: 305.7±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: 3.39
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 15.71
    ACD/KOC (pH 5.5): 110.05
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.81
    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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