CEV
Summary
| Name: | ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
| Formula: | C11 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
| OpenEye OEToolkits | 1.7.2 | ethyl (4R)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCC1CC(N)CCC(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | BLWBKGMLORNBPP-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O |
| SMILES | CACTVS | 3.370 | CCOC(=O)CC[CH](N)C[CH]1CCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCOC(=O)CCC(CC1CCNC1=O)N |
