Molecule ID: mol5410
SMILES: CC[C@H](C)[C@H](NC(=O)CN)C(=O)O
InChI: InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.41 | AttenGpKa training set | 0 » -1 |