(2R)-2-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
Formula:C14H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | (2R)-2-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C14H17NO2 |
| Smiles | OC([C@@]1(C/C=C/c2ccccc2)NCCC1)=O |
| InChI | InChI=1S/C14H17NO2/c16-13(17)14(10-5-11-15-14)9-4-8-12-6-2-1-3-7-12/h1-4,6-8,15H,5,9-11H2,(H,16,17)/t14-/m0/s1 |
| InChIK | DLUNFQZLCPXMBC-AWEZNQCLSA-N |
| TotalMolweight | 231.294 |
| Molweight | 231.294 |
| MonoisotopicMass | 231.125929 |
| CLogP | -0.0871 |
| CLogS | -2.627 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 187.27 |
| Relative PSA | 0.20078 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -2.5182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| 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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1 - (2R)-2-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid | 2 - (2R)-2-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
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