KY1
Summary
| Name: | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(2-aminophenyl)-4-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-aminophenyl)-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccccc1N)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccccc1C(=O)CCC(O)=O |
| SMILES | CACTVS | 3.341 | Nc1ccccc1C(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)CCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)CCC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14) |
| InChIKey | InChI | 1.03 | BIASMBPERGWEBX-UHFFFAOYSA-N |
