(2S,4R)-4-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
Formula:C14H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,4R)-4-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | (2S,4R)-4-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C14H17NO2 |
| Smiles | OC([C@H]1NC[C@H](C/C=C/c2ccccc2)C1)=O |
| InChI | InChI=1S/C14H17NO2/c16-14(17)13-9-12(10-15-13)8-4-7-11-5-2-1-3-6-11/h1-7,12-13,15H,8-10H2,(H,16,17)/t12-,13-/m0/s1 |
| InChIK | QDAXBFHPUNCEDK-STQMWFEESA-N |
| TotalMolweight | 231.294 |
| Molweight | 231.294 |
| MonoisotopicMass | 231.125929 |
| CLogP | -0.1158 |
| CLogS | -2.678 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 188.1 |
| Relative PSA | 0.19989 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -1.5458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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