(3S)-3-Amino-4-(1H-Indol-3-Yl)Butanoic Acid

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Properties Simple | Detailed

Formula C12H14N2O2
IUPAC Name (3s)-3-amino-4-indol-1-ium-3-yl-butanoic acid
Molecular Mass 218.252 g·mol−1
Heat of Formation -254.6 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 266.89 Å 3
Surface Area 246.9 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-ammonio-4-(1h-indol-3-yl)butanoate
  • (3s)-3-ammonio-4-(1h-indol-3-yl)butyrate
  • (3s)-3-azaniumyl-4-(1h-indol-3-yl)butanoate
InChIKey DUVVFMLAHWNDJD-VIFPVBQESA-N
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