Z24
Summary
| Name: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid |
| Formula: | C11 H11 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 243.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11F2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6,10,15H,3,5H2,(H,16,17)/t6-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | HKKAZODAIOIPGM-LHLIQPBNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@H](CN1c2ccc(F)cc2F)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](CN1c2ccc(F)cc2F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1F)F)N2CC(CC2O)C(=O)O |
