ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1-methyl-1H-pyrazol-4-yl)alanine | C12H19N3O4

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1-methyl-1H-pyrazol-4-yl)alanine

  • Molecular FormulaC12H19N3O4
  • Average mass269.297 Da
  • Monoisotopic mass269.137543 Da
  • ChemSpider ID26275652

More details:

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

1H-Pyrazole-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1-methyl-1H-pyrazol-4-yl)alanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1-methyl-1H-pyrazol-4-yl)alanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-(1-méthyl-1H-pyrazol-4-yl)alanine [French] [ACD/IUPAC Name]
1997446-11-3 [RN]
2-((tert-butoxycarbonyl)amino)-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
2-[(tert-butoxycarbonyl)amino]-3-(1-methylpyrazol-4-yl)propanoic acid
2-{[(tert-butoxy)carbonyl]amino}-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
2002473-73-4 [RN]
2-tert-butoxycarbonylamino-3-(1-methyl-1H-pyrazol-4-yl)propionic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 456.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.9±27.3 °C
Index of Refraction: 1.547
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 217.8±7.0 cm3

Click to predict properties on the Chemicalize site


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