rel-(3R,4S)-1-benzyl-4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid
Chemical Structure Depiction of
rel-(3R,4S)-1-benzyl-4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid
rel-(3R,4S)-1-benzyl-4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid
Compound characteristics
| Compound ID: | S719-0042 |
| Compound Name: | rel-(3R,4S)-1-benzyl-4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C21 H28 N2 O3 |
| Smiles: | C1CCC(CCNC([C@H]2CN(Cc3ccccc3)C[C@H]2C(O)=O)=O)=CC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9735 |
| logD: | 1.9735 |
| logSw: | -2.6684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.059 |
| InChI Key: | UMIZGLKYRHYQRR-MOPGFXCFSA-N |