Molecule ID: mol14338
SMILES: CC(O)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChI: InChI=1S/C9H15NO5/c1-4(11)6-3-10-8(9(14)15)5(6)2-7(12)13/h4-6,8,10-11H,2-3H2,1H3,(H,12,13)(H,14,15)/t4?,5-,6-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | Datawarrior | 1 » 0 |
| 4.35 | Datawarrior | 0 » -1 |
| 10.08 | Datawarrior | -1 » -2 |