3-(Carboxymethyl)-L-Histidine

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Properties Simple | Detailed

Formula C8H11N3O4
IUPAC Name (2s)-2-amino-3-[3-(carboxymethyl)imidazol-3-ium-4-ylium-4-yl]propanoic acid
Molecular Mass 213.191 g·mol−1
Heat of Formation -607.8 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 247.44 Å 3
Surface Area 224.47 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3-(carboxymethyl)-4-imidazolyl]propanoic acid
  • (2s)-2-amino-3-[3-(carboxymethyl)imidazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[3-(carboxymethyl)imidazol-4-yl]propionic acid
  • 3-(carboxymethyl)histidine
  • 3-carboxymethylhistidine
CAS Number(s)
  • 2930-79-2
  • 3414-39-9
InChIKey CHEAAAHBJYHHLA-LURJTMIESA-N
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