rel-(3R,4S)-1-benzyl-4-[(cyanomethyl)(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
Chemical Structure Depiction of
rel-(3R,4S)-1-benzyl-4-[(cyanomethyl)(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
rel-(3R,4S)-1-benzyl-4-[(cyanomethyl)(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
Compound characteristics
| Compound ID: | S837-1527 |
| Compound Name: | rel-(3R,4S)-1-benzyl-4-[(cyanomethyl)(methyl)carbamoyl]pyrrolidine-3-carboxylic acid |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C16 H19 N3 O3 |
| Smiles: | CN(CC#N)C([C@H]1CN(Cc2ccccc2)C[C@H]1C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0289 |
| logD: | -2.7103 |
| logSw: | -1.6932 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.504 |
| InChI Key: | AXYKNMJUHMDTRZ-KGLIPLIRSA-N |