2TQ
Summary
| Name: | (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Formula: | C7 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 155.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,5S)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2N1C(=O)CC1CC2 |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | RJPDELAUUYAFTQ-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC[C@H]2CC(=O)N12 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC[CH]2CC(=O)N12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[C@H](N2[C@@H]1CC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(N2C1CC2=O)C(=O)O |
