Molecule ID: mol5468
SMILES: NCC(=O)N1CCC[C@H]1C(=O)O
InChI: InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.81 | IUPAC digitized pKa | 1 » 0 |
| 2.84 | AttenGpKa training set | 1 » 0 |
| 2.97 | IUPAC digitized pKa | 1 » 0 |
| 8.48 | IUPAC digitized pKa | 0 » -1 |
| 8.50 | IUPAC digitized pKa | 0 » -1 |
| 8.55 | AttenGpKa training set | 0 » -1 |
| 8.65 | IUPAC digitized pKa | 0 » -1 |