ChemSpider 2D Image | (3S,4S)-1-({[2-(2-Methoxyethoxy)-3-pyridinyl]methyl}carbamoyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C16H20F3N3O5

(3S,4S)-1-({[2-(2-Methoxyethoxy)-3-pyridinyl]methyl}carbamoyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC16H20F3N3O5
  • Average mass391.342 Da
  • Monoisotopic mass391.135498 Da
  • ChemSpider ID57877313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-({[2-(2-Methoxyethoxy)-3-pyridinyl]methyl}carbamoyl)-4-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-({[2-(2-Methoxyethoxy)-3-pyridinyl]methyl}carbamoyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]amino]carbonyl]-4-(trifluoromethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-({[2-(2-méthoxyéthoxy)-3-pyridinyl]méthyl}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: 1.4±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.521
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

Click to predict properties on the Chemicalize site


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