ChemSpider 2D Image | 3-Ammonio-4-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]amino}-4-oxobutanoate | C14H18N2O5

3-Ammonio-4-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]amino}-4-oxobutanoate

  • Molecular FormulaC14H18N2O5
  • Average mass294.303 Da
  • Monoisotopic mass294.121582 Da
  • ChemSpider ID23212145

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Ammonio-4-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
3-Ammonio-4-{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
3-Ammonio-4-{[(2S)-1-méthoxy-1-oxo-3-phényl-2-propanyl]amino}-4-oxobutanoate [French] [ACD/IUPAC Name]
3-ammonio-4-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobutanoate
L-Phenylalanine, α-aspartyl-, methyl ester [ACD/Index Name]
3-ammonio-3-[1-methyloxycarbonyl-2-phenyl-(1S)-ethylcarbamoyl]propanoate
Asp-Phe methyl ester

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

Density:
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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