Molecule ID: mol15266
SMILES: N[C@@H](CCCCN1C(=O)C[C@H](N)C1=O)C(=O)O
InChI: InChI=1S/C10H17N3O4/c11-6(10(16)17)3-1-2-4-13-8(14)5-7(12)9(13)15/h6-7H,1-5,11-12H2,(H,16,17)/t6-,7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | Datawarrior | 2 » 1 |
| 2.50 | QSARToolbox | 2 » 1 |
| 6.00 | Datawarrior | 1 » 0 |
| 9.50 | Datawarrior | 0 » -1 |