PYB
Summary
| Name: | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID |
| Formula: | C6 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 140.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-1-methyl-1H-pyrrole-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-amino-1-methyl-pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(N)cn1C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cc(N)cc1C(O)=O |
| SMILES | CACTVS | 3.341 | Cn1cc(N)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cc(cc1C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cc(cc1C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | MUEOQEUSJMFYHV-UHFFFAOYSA-N |
