Molecule ID: mol5489
SMILES: CC(C)[C@H](NC(=O)CN)C(=O)O
InChI: InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.17 | IUPAC digitized pKa | 1 » 0 |
| 3.26 | IUPAC digitized pKa | 1 » 0 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.22 | IUPAC digitized pKa | 0 » -1 |
| 8.25 | IUPAC digitized pKa | 0 » -1 |
| 8.39 | AttenGpKa training set | 0 » -1 |