Molecule ID: mol14313
SMILES: C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChI: InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | Datawarrior | 1 » 0 |
| 2.10 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 0 » -1 |
| 4.43 | Datawarrior | 0 » -1 |
| 10.10 | Baltruschat ChEMBL | -1 » -2 |