(3S,4S)-3-(Carboxymethyl)-4-(2-Hydroxy-2-Propanyl)-L-Proline

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Properties Simple | Detailed

Formula C10H17NO5
IUPAC Name (2s,3s,4s)-3-(carboxymethyl)-4-(1-hydroxy-1-methyl-ethyl)pyrrolidine-2-carboxylic acid
Molecular Mass 231.246 g·mol−1
Heat of Formation -1049.4 ± 16.7 kJ·mol−1
Dipole Moment 0.69 ± 1.08 D
Volume 276.66 Å 3
Surface Area 238.94 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-3-(carboxymethyl)-4-(1-hydroxy-1-methyl-ethyl)proline
  • (2s,3s,4s)-3-(carboxymethyl)-4-(1-hydroxy-1-methyl-ethyl)pyrrolidine-2-carboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-(1-hydroxy-1-methylethyl)-2-pyrrolidinecarboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
  • 1'-hydroxykainic acid
CAS Number(s)
  • 125292-93-5
InChIKey ZGEUBGPBYKPRFI-BBVRLYRLSA-N
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