MD6
Summary
| Name: | N-[(3-hydroxypyridin-2-yl)carbonyl]glycine |
| Formula: | C8 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 196.16 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3-hydroxypyridin-2-yl)carbonyl]glycine |
| OpenEye OEToolkits | 1.7.2 | 2-[(3-oxidanylpyridin-2-yl)carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ncccc1O)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O4/c11-5-2-1-3-9-7(5)8(14)10-4-6(12)13/h1-3,11H,4H2,(H,10,14)(H,12,13) |
| InChIKey | InChI | 1.03 | IZQMRNMMPSNPJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CNC(=O)c1ncccc1O |
| SMILES | CACTVS | 3.370 | OC(=O)CNC(=O)c1ncccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(c(nc1)C(=O)NCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(c(nc1)C(=O)NCC(=O)O)O |
