| CID | 48 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 175 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADcYBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACASBgAAACABAAgAIAIGQGAIAAAAAAAAAAAFAAAAAABIAgAAAQAAEEAAAAACdFwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-amino-2,5-dioxo-pentanoic acid |
| pubchem_iupac_cas_name | 5-amino-2,5-dioxopentanoic acid |
| pubchem_iupac_systematic_name | 5-azanyl-2,5-dioxo-pentanoic acid |
| pubchem_iupac_traditional_name | 5-amino-2,5-diketo-valeric acid |
| pubchem_nist_inchi | InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 145.037508 |
| pubchem_molecular_formula | C5H7NO4 |
| pubchem_molecular_weight | 145.11338 |
| pubchem_openeye_can_smiles | C(CC(=O)N)C(=O)C(=O)O |
| pubchem_openeye_iso_smiles | C(CC(=O)N)C(=O)C(=O)O |
| pubchem_cactvs_tpsa | 97.5 |
| pubchem_monoisotopic_weight | 145.037508 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| 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 | 4 |
