YV4
Summary
| Name: | (3S)-3-aminopyrrolidin-2-one |
| Formula: | C4 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 100.119 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-aminopyrrolidin-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanylpyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCC1N |
| InChI | InChI | 1.03 | InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | YNDAMDVOGKACTP-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCNC1=O |
| SMILES | CACTVS | 3.385 | N[CH]1CCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)[C@H]1N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)C1N |
