Molecule ID: mol5325
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChI: InChI=1S/C10H19N3O4/c1-5(2)3-6(11)9(15)13-7(10(16)17)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.83 | IUPAC digitized pKa | 1 » 0 |
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 3.00 | Datawarrior | 1 » 0 |
| 3.00 | QSARToolbox | 1 » 0 |
| 8.08 | Datawarrior | 0 » -1 |
| 8.12 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |