5-oxo-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid
Formula:C14H13NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-oxo-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | 5-oxo-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C14H13NO4 |
| Smiles | OC(C(CC1)N(C(/C=C/c2ccccc2)=O)C1=O)=O |
| InChI | InChI=1S/C14H13NO4/c16-12(8-6-10-4-2-1-3-5-10)15-11(14(18)19)7-9-13(15)17/h1-6,8,11H,7,9H2,(H,18,19)/t11-/m1/s1 |
| InChIK | PNBJXAUJYIKDDX-LLVKDONJSA-N |
| TotalMolweight | 259.26 |
| Molweight | 259.26 |
| MonoisotopicMass | 259.084459 |
| CLogP | 0.9673 |
| CLogS | -2.15 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 196.18 |
| Relative PSA | 0.28428 |
| PolarSurfaceArea | 74.68 |
| Druglikeness | -2.1279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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