VWM
Summary
| Name: | (3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid |
| Formula: | C8 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 187.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-ethanoyl-3-oxidanyl-piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCCC(O)(C1)C(=O)O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | CKOGPKPHDCYLTR-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@@](O)(C1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[C](O)(C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC[C@@](C1)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCC(C1)(C(=O)O)O |
