ChemSpider 2D Image | (2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)acetic acid | C11H17N3O4

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)acetic acid

  • Molecular FormulaC11H17N3O4
  • Average mass255.270 Da
  • Monoisotopic mass255.121902 Da
  • ChemSpider ID75536679

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)acetic acid [ACD/IUPAC Name]
(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-4-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)(1-méthyl-1H-pyrazol-4-yl)acétique [French] [ACD/IUPAC Name]
(2S)-2-(tert-butoxycarbonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
(S)-[(tert-butoxycarbonyl)amino](1-methylpyrazol-4-yl)acetic acid
(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
2165612-79-1 [RN]
MFCD31743886

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 219.0±27.3 °C
Index of Refraction: 1.552
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
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: 43.8±7.0 dyne/cm
Molar Volume: 201.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement