1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxylic acid
1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | N117-0001 |
| Compound Name: | 1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxylic acid |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C18 H27 N3 O4 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)C(O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1935 |
| logD: | -2.3595 |
| logSw: | -0.4338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.334 |
| InChI Key: | OTXAAPKPBMFNSO-NWANDNLSSA-N |