(2S)-1-[(2R,4R)-4-Carboxy-2-Methylpentanoyl]-2-Indolinecarboxylic Acid

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Properties Simple | Detailed

Formula C16H19NO5
IUPAC Name (2s)-1-[(2r,4r)-4-carboxy-2-methyl-pentanoyl]indoline-2-carboxylic acid
Molecular Mass 305.326 g·mol−1
Heat of Formation -922.2 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 359.08 Å 3
Surface Area 299.69 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r,4r)-5-hydroxy-2,4-dimethyl-1,5-dioxopentyl]-2-indolinecarboxylic acid
  • (2s)-1-[(2r,4r)-5-hydroxy-2,4-dimethyl-5-oxo-pentanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2r,4r)-5-hydroxy-2,4-dimethyl-5-oxo-pentanoyl]indoline-2-carboxylic acid
  • (2s)-1-[(2r,4r)-5-hydroxy-2,4-dimethyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2r,4r)-5-hydroxy-5-keto-2,4-dimethyl-pentanoyl]indoline-2-carboxylic acid
InChIKey QYGJWRUSSRDNLQ-BREBYQMCSA-N
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