ChemSpider 2D Image | (3S)-3-Amino-4-(3-fluorophenyl)-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid | C15H20FNO4

(3S)-3-Amino-4-(3-fluorophenyl)-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid

  • Molecular FormulaC15H20FNO4
  • Average mass297.322 Da
  • Monoisotopic mass297.137634 Da
  • ChemSpider ID21429198

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-Amino-4-(3-fluorophenyl)-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-4-(3-fluorphenyl)-5-[(2-methyl-2-propanyl)oxy]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-4-(3-fluorophényl)-5-[(2-méthyl-2-propanyl)oxy]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-amino-2-(3-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3S)- [ACD/Index Name]
(3S)-3-amino-4-[(tert-butyl)oxycarbonyl]-4-(3-fluorophenyl)butanoic acid
(3S)-3-AMINO-5-(TERT-BUTOXY)-4-(3-FLUOROPHENYL)-5-OXOPENTANOIC ACID
[270596-51-5] [RN]
270596-51-5 [RN]
Boc-(S)-3-amino-4-(3-fluorophenyl)-butyric acid
Boc-(S)-3-Amino-4-(3-fluorophenyl)butyric 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: 432.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 215.2±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 90 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 245.0±3.0 cm3

Click to predict properties on the Chemicalize site


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