ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)-D-alanine | C11H17N3O4

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)-D-alanine

  • Molecular FormulaC11H17N3O4
  • Average mass255.270 Da
  • Monoisotopic mass255.121902 Da
  • ChemSpider ID24021801

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-(1H-pyrazol-1-yl)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)-D-alanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)-D-alanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)-D-alanine [French] [ACD/IUPAC Name]
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acid
(R)-2-((tert-butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoic acid
(R)-2-TERT-BUTOXYCARBONYLAMINO-3-PYRAZOL-1-YL-PROPIONIC ACID
348081-42-5 [RN]
Boc-3-(1-Pyrazolyl)-D-alanine
boc-3-(pyrazol-1-yl)-d-ala-oh
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 441.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 221.1±27.3 °C
    Index of Refraction: 1.552
    Molar Refractivity: 64.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): -1.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 45.6±7.0 dyne/cm
    Molar Volume: 202.6±7.0 cm3

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