XOT
Summary
| Name: | (4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid |
| Synonyms: | MK 1903 |
| Formula: | C8 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1n[NH]c2C3CC3Cc21 |
| InChI | InChI | 1.06 | InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1 |
| InChIKey | InChI | 1.06 | CUTZNERBKDMLAP-QWWZWVQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1n[nH]c2[C@@H]3C[C@@H]3Cc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1n[nH]c2[CH]3C[CH]3Cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1c2c([nH]nc2C(=O)O)[C@H]3[C@@H]1C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1c2c([nH]nc2C(=O)O)C3C1C3 |
