[(1R,2R)-2-{[(5-Fluoro-1H-Indol-2-Yl)Carbonyl]Amino}-2,3-Dihydro-1H-Inden-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C20H17FN2O3
IUPAC Name 2-[(1r,2r)-2-[(5-fluoro-1h-indole-2-carbonyl)amino]indan-1-yl]acetic acid
Molecular Mass 352.359 g·mol−1
Heat of Formation -496.4 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 403.41 Å 3
Surface Area 361.31 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r,2r)-2-[(5-fluoro-1h-indol-2-yl)carbonylamino]-2,3-dihydro-1h-inden-1-yl]ethanoic acid
  • 2-[(1r,2r)-2-[(5-fluoro1h-indole-2-carbonyl)amino]-2,3-dihydro-1h-inden-1-yl]acetic acid
  • 2-[(1r,2r)-2-[(5-fluoro1h-indole-2-carbonyl)amino]indan-1-yl]acetic acid
  • 2-[(1r,2r)-2-[[(5-fluoro-1h-indol-2-yl)-oxomethyl]amino]-1-indanyl]acetic acid
InChIKey MUKIEMZDXOXEOK-NVXWUHKLSA-N
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