3-{[(2E)-4-Methoxy-4-Oxo-2-Butenoyl]Amino}-L-Alanine

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Properties Simple | Detailed

Formula C8H12N2O5
IUPAC Name (2s)-2-amino-3-[[(e)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid
Molecular Mass 216.191 g·mol−1
Heat of Formation -838.0 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 251.6 Å 3
Surface Area 245.73 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[[(e)-4-keto-4-methoxy-but-2-enoyl]amino]propionic acid
  • (2s)-2-amino-3-[[(e)-4-methoxy-1,4-dioxobut-2-enyl]amino]propanoic acid
  • (2s)-2-amino-3-[[(e)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid
  • (2s)-2-amino-3-[[(e)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
  • 2-butenoic acid, 4-((2-amino-2-carboxyethyl)amino)-4-oxo-, 1-methyl ester, (s-(e))-
  • fmdp
  • n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid
  • n(3)-(4-methoxyfumaroyl)-l-2,3-diaminopropionic acid
CAS Number(s)
  • 96920-07-9
InChIKey IXTGTEFAVXEHRV-HRJJCQLASA-N
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