R9J
Summary
| Name: | 2-methyl-N-(4-methylphenyl)-L-alanine |
| Formula: | C11 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 193.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-N-(4-methylphenyl)-L-alanine |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-2-[(4-methylphenyl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)C)NC(C)(C)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)12-11(2,3)10(13)14/h4-7,12H,1-3H3,(H,13,14) |
| InChIKey | InChI | 1.03 | SDRDMLFVFFTPAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(NC(C)(C)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(NC(C)(C)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)NC(C)(C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)NC(C)(C)C(=O)O |
