ChemSpider 2D Image | (2S)-2-Amino-5-(5-ethoxy-4-fluoro-3-methyl-1H-pyrazol-1-yl)-5-oxopentanoic acid | C11H16FN3O4

(2S)-2-Amino-5-(5-ethoxy-4-fluoro-3-methyl-1H-pyrazol-1-yl)-5-oxopentanoic acid

  • Molecular FormulaC11H16FN3O4
  • Average mass273.261 Da
  • Monoisotopic mass273.112488 Da
  • ChemSpider ID96306004
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Amino-5-(5-ethoxy-4-fluor-3-methyl-1H-pyrazol-1-yl)-5-oxopentansäure [German] [ACD/IUPAC Name]
(2S)-2-Amino-5-(5-ethoxy-4-fluoro-3-methyl-1H-pyrazol-1-yl)-5-oxopentanoic acid [ACD/IUPAC Name]
1H-Pyrazole-1-pentanoic acid, α-amino-5-ethoxy-4-fluoro-3-methyl-δ-oxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-amino-5-(5-éthoxy-4-fluoro-3-méthyl-1H-pyrazol-1-yl)-5-oxopentanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 483.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 245.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 63.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 193.0±7.0 cm3

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