C93
Summary
| Name: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid |
| Synonyms: | 3-(4-hydroxypiperidine-1-yl) phthalic acid |
| Formula: | C13 H15 N O5 |
| Formal charge: | 0 |
| Formula weight: | 265.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3-(4-oxidanylpiperidin-1-yl)phthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | WHCKCCDPUOWOSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)c2cccc(C(O)=O)c2C(O)=O |
| SMILES | CACTVS | 3.385 | OC1CCN(CC1)c2cccc(C(O)=O)c2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O |
