U2Y
Summary
| Name: | {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid |
| Formula: | C10 H14 B N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.034 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid |
| OpenEye OEToolkits | 2.0.7 | [4-[ethyl(methyl)carbamoyl]phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C)(CC)C(=O)c1ccc(B(O)O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | AWXVNEUNYSIXAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(C)C(=O)c1ccc(cc1)B(O)O |
| SMILES | CACTVS | 3.385 | CCN(C)C(=O)c1ccc(cc1)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)C(=O)N(C)CC)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)C(=O)N(C)CC)(O)O |
