3RG
Summary
| Name: | 2-[(carboxymethyl)amino]benzoic acid |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(carboxymethyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.7.2 | 2-(carboxymethylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | PJUXPMVQAZLJEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CNc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)CNc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)C(=O)O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)C(=O)O)NCC(=O)O |
