ChemSpider 2D Image | 5-[(1S)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-1,2-oxazole-3-carboxylic acid | C11H16N2O5

5-[(1S)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-1,2-oxazole-3-carboxylic acid

  • Molecular FormulaC11H16N2O5
  • Average mass256.255 Da
  • Monoisotopic mass256.105927 Da
  • ChemSpider ID32808647

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1095825-67-4 [RN]
3-Isoxazolecarboxylic acid, 5-[(1S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- [ACD/Index Name]
5-[(1S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[(1S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-[(1S)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-1,2-oxazole-3-carboxylic acid
Acide 5-[(1S)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
(S)-5-(1-((TERT-BUTOXYCARBONYL)AMINO)ETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
MFCD22370349

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 450.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 226.0±27.3 °C
    Index of Refraction: 1.509
    Molar Refractivity: 61.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): -0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 206.4±3.0 cm3

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