VQ6
Summary
| Name: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
| Formula: | C11 H11 F2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 227.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[2,6-bis(fluoranyl)phenyl]-2-(cyclopropylamino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(NC1CC1)c1c(F)cccc1F |
| InChI | InChI | 1.06 | InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | LLCVJLSDVSYPMV-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](NC1CC1)c2c(F)cccc2F |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](NC1CC1)c2c(F)cccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)[C@H](C(=O)O)NC2CC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(C(=O)O)NC2CC2)F |
