A1CL1
Summary
| Name: | 3-(2-oxopyrrolidin-1-yl)benzoic acid |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(2-oxopyrrolidin-1-yl)benzoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 3-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cccc(c1)N1CCCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15) |
| InChIKey | InChI | 1.06 | QESXXFDZRITHKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)N2CCCC2=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)N2CCCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)N2CCCC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)N2CCCC2=O)C(=O)O |
