Molecule ID: mol14314
SMILES: CC(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChI: InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | Datawarrior | 1 » 0 |
| 4.23 | Datawarrior | 0 » -1 |
| 10.62 | Datawarrior | -1 » -2 |