OCQ
Summary
| Name: | (3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE |
| Formula: | C8 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 186.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-[(2S)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-[(2S)-2-amino-4-hydroxy-3-oxo-butyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NCCC1CC(N)C(=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | IZFXLIWWJCODDL-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1CCNC1=O)C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N |
| SMILES | OpenEye OEToolkits | 1.7.5 | C1CNC(=O)C1CC(C(=O)CO)N |
