ChemSpider 2D Image | N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)carbonyl]-L-alloisoleucine | C17H30N2O5

N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)carbonyl]-L-alloisoleucine

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID21786344

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Alloisoleucine, N-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]carbonyl]- [ACD/Index Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)carbonyl]-L-alloisoleucin [German] [ACD/IUPAC Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)carbonyl]-L-alloisoleucine [ACD/IUPAC Name]
N-[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl)carbonyl]-L-alloisoleucine [French] [ACD/IUPAC Name]
(2S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-3-methylpentanoic acid
1173665-25-2 [RN]
N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-alloisoleucine

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 528.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 87.9±6.0 kJ/mol
    Flash Point: 273.6±30.1 °C
    Index of Refraction: 1.499
    Molar Refractivity: 88.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.99
    ACD/LogD (pH 7.4): -1.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 302.7±3.0 cm3

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