ChemSpider 2D Image | (2S)-2-(4-Fluorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C15H20FNO4

(2S)-2-(4-Fluorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC15H20FNO4
  • Average mass297.322 Da
  • Monoisotopic mass297.137634 Da
  • ChemSpider ID96440428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Fluorbenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
(2S)-2-(4-Fluorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
Acide (2S)-2-(4-fluorobenzyl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-fluoro-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.3±27.3 °C
Index of Refraction: 1.514
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 41.51
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

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