ChemSpider 2D Image | (3S,4S)-1-[(5-Isopropyl-1,2-oxazol-3-yl)carbamoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C13H16F3N3O4

(3S,4S)-1-[(5-Isopropyl-1,2-oxazol-3-yl)carbamoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID57980325

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[(5-Isopropyl-1,2-oxazol-3-yl)carbamoyl]-4-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-[(5-Isopropyl-1,2-oxazol-3-yl)carbamoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[[5-(1-methylethyl)-3-isoxazolyl]amino]carbonyl]-4-(trifluoromethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[(5-isopropyl-1,2-oxazol-3-yl)carbamoyl]-4-(trifluorométhyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

Click to predict properties on the Chemicalize site


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