Molecule ID: mol15059
SMILES: C/C(=C\C=C\C(C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChI: InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9?,10-,11+,13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | Datawarrior | 1 » 0 |
| 3.72 | Datawarrior | 0 » -1 |
| 4.93 | Datawarrior | -1 » -2 |
| 9.82 | Datawarrior | -2 » -3 |