Molecule ID: mol11057
SMILES: CN1C(=O)NC(=O)C(N(CC(=O)O)CC(=O)O)C1=O
InChI: InChI=1S/C9H11N3O7/c1-11-8(18)6(7(17)10-9(11)19)12(2-4(13)14)3-5(15)16/h6H,2-3H2,1H3,(H,13,14)(H,15,16)(H,10,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | IUPAC digitized pKa | 0 » -1 |
| 2.67 | IUPAC digitized pKa | -1 » -2 |
| 2.67 | IUPAC digitized pKa | -1 » -2 |
| 9.81 | IUPAC digitized pKa | -2 » -3 |
| 9.81 | IUPAC digitized pKa | -2 » -3 |