XDL
Summary
| Name: | XYLOSE-DERIVED ISOFAGOMINE LACTAM |
| Synonyms: | (3S)-3-HYDROXYPIPERIDIN-2-ONE |
| Formula: | C5 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 115.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-hydroxypiperidin-2-one |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-hydroxypiperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NCCCC1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1CCCNC1=O |
| SMILES | CACTVS | 3.341 | O[CH]1CCCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H](C(=O)NC1)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(C(=O)NC1)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | RYKLZUPYJFFNRR-BYPYZUCNSA-N |
