7E5
Summary
| Name: | (2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid |
| Formula: | C12 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 251.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO5/c14-11(15)8-3-1-2-4-10(8)18-7-5-9(12(16)17)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)(H,16,17)/t7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | XHABYXGKUZQAIW-APPZFPTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@H](CN1)Oc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)Oc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)OC2CC(NC2)C(=O)O |
