ChemSpider 2D Image | Methyl 4-[({(4r)-4-Hydroxy-1-[(3-Methylisoxazol-5-Yl)acetyl]-L-Prolyl}amino)methyl]benzoate | C20H23N3O6

Methyl 4-[({(4r)-4-Hydroxy-1-[(3-Methylisoxazol-5-Yl)acetyl]-L-Prolyl}amino)methyl]benzoate

  • Molecular FormulaC20H23N3O6
  • Average mass401.413 Da
  • Monoisotopic mass401.158691 Da
  • ChemSpider ID35034731

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[({(4R)-4-Hydroxy-1-[2-(3-méthyl-1,2-oxazol-5-yl)acétyl]-L-prolyl}amino)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[(2S,4R)-4-hydroxy-1-[2-(3-methyl-5-isoxazolyl)acetyl]-2-pyrrolidinyl]carbonyl]amino]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[({(4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolyl}amino)methyl]benzoate [ACD/IUPAC Name]
Methyl 4-[({(4r)-4-Hydroxy-1-[(3-Methylisoxazol-5-Yl)acetyl]-L-Prolyl}amino)methyl]benzoate
Methyl-4-[({(4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolyl}amino)methyl]benzoat [German] [ACD/IUPAC Name]
ZTD

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.56
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.56
Polar Surface Area: 122 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 299.7±3.0 cm3

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