| CID | 63 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 105 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCABAAgAIAACQCAAAAAAAAAAAAIGAAAACABIAwAAAQAAEEAAAAACsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2,4-diaminopentanoic acid |
| pubchem_iupac_cas_name | 2,4-diaminopentanoic acid |
| pubchem_iupac_systematic_name | 2,4-bis(azanyl)pentanoic acid |
| pubchem_iupac_traditional_name | 2,4-diaminovaleric acid |
| pubchem_nist_inchi | InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 132.089878 |
| pubchem_molecular_formula | C5H12N2O2 |
| pubchem_molecular_weight | 132.16098 |
| pubchem_openeye_can_smiles | CC(CC(C(=O)O)N)N |
| pubchem_openeye_iso_smiles | CC(CC(C(=O)O)N)N |
| pubchem_cactvs_tpsa | 89.3 |
| pubchem_monoisotopic_weight | 132.089878 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 9 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| 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 | 1 |
| pubchem_bondannotations | 6 12 3
7 13 3 |
