(3S,4S)-3-(Carboxymethyl)-4-(2-Hydroxyphenyl)-L-Proline

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Properties Simple | Detailed

Formula C13H15NO5
IUPAC Name (2s,3s,4s)-3-(carboxymethyl)-4-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
Molecular Mass 265.262 g·mol−1
Heat of Formation -862.6 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 305.06 Å 3
Surface Area 261.91 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-2-pyrrolidinecarboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-hydroxyphenyl)proline
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
  • (2s-(2alpha,3beta,4beta))-2-carboxy-4-(2-hydroxyphenyl)-3-pyrrolidineacetic acid
  • 2-carboxy-4-(2-hydroxyphenyl)-3-pyrrolidineacetic acid (2s-(2alpha,3beta,4beta))-
  • 3-pyrrolidineacetic acid, 2-carboxy-4-(2-hydroxyphenyl)-, (2s-(2alpha,3beta,4beta))-
  • 4-(2-hydroxyphenyl)-2-carboxy-3-pyrrolidineacetic acid
  • hfpa
CAS Number(s)
  • 132785-32-1
InChIKey JSMYHXFFKXKZRN-SBMIAAHKSA-N
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