Molecule ID: mol5359
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChI: InChI=1S/C11H21N3O4/c1-6(2)5-7(12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.99 | IUPAC digitized pKa | 1 » 0 |
| 2.99 | Datawarrior | 1 » 0 |
| 2.99 | QSARToolbox | 1 » 0 |
| 8.07 | Datawarrior | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |