JW1
Summary
| Name: | {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid |
| Formula: | C11 H16 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 237.06 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid |
| OpenEye OEToolkits | 2.0.6 | [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14) |
| InChIKey | InChI | 1.03 | CWLNHPXWZRALFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1cccc(c1)B(O)O |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1cccc(c1)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O |
