Molecule ID: mol14469

SMILES: COC(=O)C[C@@H]1[C@@H](C(=O)O)NC[C@H]1C(C)O

InChI: InChI=1S/C10H17NO5/c1-5(12)7-4-11-9(10(14)15)6(7)3-8(13)16-2/h5-7,9,11-12H,3-4H2,1-2H3,(H,14,15)/t5?,6-,7-,9-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.40 Datawarrior 1 » 0
9.41 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization