3-(1H-indol-3-yl)-2-(methylamino)propanoic acid

Properties Image MNX_ID MNXM733784 reference chebi:93824 formula C12H14N2O2 global charge 0 mol weight 218.256 InChIKey CZCIKBSVHDNIDH-UHFFFAOYSA-N InChI InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16) SMILES CNC(CC1=CNC2=CC=CC=C12)C(=O)O MNX internals InChI (mnx) InChI=1/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11? SMILES (mnx) [CH3:1][NH:13][CH:11]([CH2:6][C:8]1=[CH:7][NH:14][C:10]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:9]12)[C:12](=[O:15])[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1