VU5
Summary
| Name: | 1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one |
| Formula: | C8 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 172.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-3-(methylamino)-2-oxidanyl-propyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CCCN1CC(O)CNC |
| InChI | InChI | 1.06 | InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | ZMESCLLKMGZIBU-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@H](O)CN1CCCC1=O |
| SMILES | CACTVS | 3.385 | CNC[CH](O)CN1CCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@@H](CN1CCCC1=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC(CN1CCCC1=O)O |
