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

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

  • Molecular FormulaC11H17N3O4
  • Average mass255.270 Da
  • Monoisotopic mass255.121902 Da
  • ChemSpider ID14366589

More details:

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

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)alanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)alanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-(1H-pyrazol-1-yl)alanine [French] [ACD/IUPAC Name]
(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoic acid
136086-12-9 [RN]
1h-pyrazole-1-propanoic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(PYRAZOL-1-YL)PROPANOIC ACID
2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-1-yl)propanoic acid
21012-18-0 [RN]
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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

Click to predict properties on the Chemicalize site


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