296
Summary
| Name: | (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid |
| Formula: | C10 H11 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 231.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(F)(F)C(c1ccc(OC)cc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[C@@H](N)C(F)(F)C(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)[CH](N)C(F)(F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)C(C(C(=O)O)(F)F)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | LSCGPDBHPYAPAB-MRVPVSSYSA-N |
