BYA
Summary
| Name: | N-(phenylcarbonyl)-beta-alanine |
| 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 | N-(phenylcarbonyl)-beta-alanine |
| OpenEye OEToolkits | 1.5.0 | 3-benzamidopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCC(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCNC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)CCNC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13) |
| InChIKey | InChI | 1.03 | CWXYHOHYCJXYFQ-UHFFFAOYSA-N |
