| CID | 89 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 282 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 4 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCzBmAQwzoBAAgCIAqTSSACCAAAkIAAIiIGHTMgKJjqSlZOAcYBk0BEI2cebyLCOAAABAAACEAAAAAIAAAQgAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-amino-4-(2-amino-3-hydroxy-phenyl)-4-oxo-butanoic acid |
| pubchem_iupac_cas_name | 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid |
| pubchem_iupac_systematic_name | 2-azanyl-4-(2-azanyl-3-hydroxy-phenyl)-4-oxo-butanoic acid |
| pubchem_iupac_traditional_name | 2-amino-4-(2-amino-3-hydroxy-phenyl)-4-keto-butyric acid |
| pubchem_nist_inchi | InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 224.079707 |
| pubchem_molecular_formula | C10H12N2O4 |
| pubchem_molecular_weight | 224.21328 |
| pubchem_openeye_can_smiles | C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N |
| pubchem_openeye_iso_smiles | C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N |
| pubchem_cactvs_tpsa | 127 |
| pubchem_monoisotopic_weight | 224.079707 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 16 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 21 |
| pubchem_bondannotations | 10 11 8
10 12 8
11 13 8
12 15 8
13 16 8
15 16 8
8 19 3 |
