A1CLR
Summary
| Name: | (1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid |
| Formula: | C13 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 230.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R},2~{S})-2-(1~{H}-indazol-4-yl)cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCCC1c1cccc2[NH]ncc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H14N2O2/c16-13(17)10-5-1-3-8(10)9-4-2-6-12-11(9)7-14-15-12/h2,4,6-8,10H,1,3,5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | AMQYBXLXVKKGJJ-PSASIEDQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCC[C@@H]1c2cccc3[nH]ncc23 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC[CH]1c2cccc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2cn[nH]c2c1)[C@H]3CCC[C@H]3C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2cn[nH]c2c1)C3CCCC3C(=O)O |
