KAC
Summary
| Name: | 4-(benzoylamino)butanoic acid |
| Formula: | C11 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.226 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(benzoylamino)butanoic acid |
| OpenEye OEToolkits | 1.9.2 | 4-benzamidobutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCC(=O)O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.03 | BOZHPKGNNJPZKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCNC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCNC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)NCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)NCCCC(=O)O |
