8IT
Summary
| Name: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid |
| Formula: | C14 H13 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 260.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13FN2O2/c1-2-11(14(18)19)9-3-4-12(13(15)5-9)10-6-16-8-17-7-10/h3-8,11H,2H2,1H3,(H,18,19)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | LKTIRPQROJRUNF-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C(O)=O)c1ccc(c(F)c1)c2cncnc2 |
| SMILES | CACTVS | 3.385 | CC[CH](C(O)=O)c1ccc(c(F)c1)c2cncnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](c1ccc(c(c1)F)c2cncnc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1ccc(c(c1)F)c2cncnc2)C(=O)O |
