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

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Properties Simple | Detailed

Formula C14H17NO5
IUPAC Name (2s,3s,4s)-3-(carboxymethyl)-4-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
Molecular Mass 279.288 g·mol−1
Heat of Formation -846.0 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 328.22 Å 3
Surface Area 275.97 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-methoxyphenyl)-2-pyrrolidinecarboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-methoxyphenyl)proline
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
  • 3-pyrrolidineacetic acid, 2-carboxy-4-(2-methoxyphenyl)-, (2s-(2alpha,3beta,4beta))-
  • 4-(2-methoxyphenyl)-2-carboxy-3-pyrrolidineacetic acid
  • mfpa
CAS Number(s)
  • 132785-33-2
InChIKey RPYRLXFYICBMOZ-CWSCBRNRSA-N
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