ChemSpider 2D Image | Methyl (2E)-4-[(N-acetyl-L-phenylalanyl)amino]-2-butenoate | C16H20N2O4

Methyl (2E)-4-[(N-acetyl-L-phenylalanyl)amino]-2-butenoate

  • Molecular FormulaC16H20N2O4
  • Average mass304.341 Da
  • Monoisotopic mass304.142303 Da
  • ChemSpider ID23110770

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-4-[(N-Acétyl-L-phénylalanyl)amino]-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-[[(2S)-2-(acetylamino)-1-oxo-3-phenylpropyl]amino]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-4-[(N-acetyl-L-phenylalanyl)amino]-2-butenoate [ACD/IUPAC Name]
Methyl-(2E)-4-[(N-acetyl-L-phenylalanyl)amino]-2-butenoat [German] [ACD/IUPAC Name]
4-(2-Acetylamino-3-phenyl-propionylamino)-but-2-enoic acid methyl ester
methyl (2E)-4-[(2S)-2-acetamido-3-phenylpropanamido]but-2-enoate
methyl (2E)-4-[(N-acetyl-L-phenylalanyl)amino]but-2-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 57.51
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 57.51
Polar Surface Area: 85 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 263.6±3.0 cm3

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