Molecule ID: mol11622
SMILES: O=C(O)CN(CC(=O)O)C1(C(=O)O)CCCCC1
InChI: InChI=1S/C11H17NO6/c13-8(14)6-12(7-9(15)16)11(10(17)18)4-2-1-3-5-11/h1-7H2,(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.63 | QSARToolbox | -1 » -2 |
| 1.63 | IUPAC digitized pKa | -1 » -2 |
| 2.59 | IUPAC digitized pKa | 0 » -1 |
| 11.24 | IUPAC digitized pKa | -2 » -3 |