Molecule ID: mol15511
SMILES: NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | Datawarrior | 1 » 0 |
| 3.14 | QSARToolbox | 1 » 0 |
| 4.38 | Datawarrior | 0 » -1 |
| 7.62 | Datawarrior | -1 » -2 |