2UA
Summary
| Name: | (3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one |
| Formula: | C12 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 224.299 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-[(2R)-2-azanyl-5-cyclopropyl-5-oxo-pentyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCC1CC(N)CCC(=O)C2CC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O |
| SMILES | CACTVS | 3.370 | N[CH](CCC(=O)C1CC1)C[CH]2CCNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC1C(=O)CCC(CC2CCNC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | HBVSUDZBPRBVRU-VHSXEESVSA-N |
