Molecule ID: mol18977
SMILES: N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O
InChI: InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 0 » -1 |
| 10.00 | Baltruschat ChEMBL | -1 » -2 |