Molecule ID: mol5363

SMILES: NC(=O)C[C@H](N)C(=O)NCC(=O)O

InChI: InChI=1S/C6H11N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3H,1-2,7H2,(H2,8,10)(H,9,13)(H,11,12)/t3-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 IUPAC digitized pKa 1 » 0
2.90 QSARToolbox 1 » 0
7.25 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization