ChemSpider 2D Image | N-(4-Carboxybenzoyl)-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide | C24H30F3N3O6

N-(4-Carboxybenzoyl)-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide

  • Molecular FormulaC24H30F3N3O6
  • Average mass513.507 Da
  • Monoisotopic mass513.208679 Da
  • ChemSpider ID25057106

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-[[(2s)-3-Methyl-1-Oxo-1-[(2s)-2-[[(3s)-1,1,1-Trifluoro-4-Methyl-2-Oxo-Pentan-3-Yl]carbamoyl]pyrrolidin-1-Yl]butan-2-Yl]carbamoyl]benzoic Acid
L-Prolinamide, N-(4-carboxybenzoyl)-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]- [ACD/Index Name]
N-(4-Carboxybenzoyl)-L-valyl-N-[(3S)-1,1,1-trifluor-4-methyl-2-oxo-3-pentanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(4-Carboxybenzoyl)-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-(4-Carboxybenzoyl)-L-valyl-N-[(3S)-1,1,1-trifluoro-4-méthyl-2-oxo-3-pentanyl]-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 20.92
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 133 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 395.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement