ChemSpider 2D Image | Methyl (2E)-3-{[(1S)-2-amino-2-oxo-1-phenylethyl]amino}-4-methyl-2-pentenoate | C15H20N2O3

Methyl (2E)-3-{[(1S)-2-amino-2-oxo-1-phenylethyl]amino}-4-methyl-2-pentenoate

  • Molecular FormulaC15H20N2O3
  • Average mass276.331 Da
  • Monoisotopic mass276.147400 Da
  • ChemSpider ID30660460

  • 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)-3-{[(1S)-2-Amino-2-oxo-1-phényléthyl]amino}-4-méthyl-2-penténoate de méthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 3-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-4-methyl-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{[(1S)-2-amino-2-oxo-1-phenylethyl]amino}-4-methyl-2-pentenoate [ACD/IUPAC Name]
Methyl-(2E)-3-{[(1S)-2-amino-2-oxo-1-phenylethyl]amino}-4-methyl-2-pentenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.8±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.92
ACD/KOC (pH 5.5): 252.36
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.92
ACD/KOC (pH 7.4): 252.37
Polar Surface Area: 81 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

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