A1BM5
Summary
| Name: | (2S)-2-hydroxy-2-(oxan-4-yl)acetamide |
| Formula: | C7 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 159.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-2-hydroxy-2-(oxan-4-yl)acetamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-(oxan-4-yl)-2-oxidanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(C(N)=O)C1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C7H13NO3/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6,9H,1-4H2,(H2,8,10) |
| InChIKey | InChI | 1.06 | KOEHHYFUIVEIQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H](O)C1CCOCC1 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH](O)C1CCOCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1COCCC1[C@@H](C(=O)N)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1COCCC1C(C(=O)N)O |
