Molecule ID: mol5353
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.98 | IUPAC digitized pKa | 2 » 1 |
| 4.47 | IUPAC digitized pKa | 1 » 0 |
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 11.30 | IUPAC digitized pKa | -2 » -3 |