rel-(3R,4S)-1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
Chemical Structure Depiction of
rel-(3R,4S)-1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
rel-(3R,4S)-1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
Compound characteristics
| Compound ID: | S719-0090 |
| Compound Name: | rel-(3R,4S)-1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | CC(C)CCNC([C@H]1CN(Cc2ccccc2)C[C@H]1C(O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.6959 |
| logD: | 1.6959 |
| logSw: | -2.4573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.138 |
| InChI Key: | PTRFTZXKGHJLJC-CVEARBPZSA-N |