ECQ
Summary
| Name: | (3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]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 | 10.04 | (3S)-3-[(2S,3R)-2-amino-3-hydroxybutyl]pyrrolidin-2-one |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-[(2S,3R)-2-amino-3-hydroxy-butyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NCCC1CC(N)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h5-7,11H,2-4,9H2,1H3,(H,10,12)/t5-,6+,7+/m1/s1 |
| InChIKey | InChI | 1.03 | CXMPAAAEMQSIAK-VQVTYTSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H](N)C[C@@H]1CCNC1=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)C[CH]1CCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(C(CC1CCNC1=O)N)O |
