ChemSpider 2D Image | N-{(2Z)-2-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}prolyl)amino]-3-phenyl-2-propenoyl}glycine | C21H27N3O6

N-{(2Z)-2-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}prolyl)amino]-3-phenyl-2-propenoyl}glycine

  • Molecular FormulaC21H27N3O6
  • Average mass417.456 Da
  • Monoisotopic mass417.189972 Da
  • ChemSpider ID64882356

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[[(Z)-1-[[(carboxymethyl)amino]carbonyl]-2-phenylethenyl]amino]carbonyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
N-{(2Z)-2-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}prolyl)amino]-3-phenyl-2-propenoyl}glycin [German] [ACD/IUPAC Name]
N-{(2Z)-2-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}prolyl)amino]-3-phenyl-2-propenoyl}glycine [ACD/IUPAC Name]
N-{(2Z)-2-[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}prolyl)amino]-3-phényl-2-propenoyl}glycine [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: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.8±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 325.8±3.0 cm3

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