(2S)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
Formula:C12H12NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2S)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate is a drug-like molecule.
| MolName | (2S)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylate |
| MolecularFormula | C12H12NO4 |
| Smiles | [O-]C([C@H](CCC1)N1C(/C=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C12H13NO4/c14-11(6-5-9-3-2-8-17-9)13-7-1-4-10(13)12(15)16/h2-3,5-6,8,10H,1,4,7H2,(H,15,16)/p-1/t10-/m0/s1 |
| InChIK | JQPXLPVJRYDONF-JTQLQIEISA-M |
| TotalMolweight | 234.23 |
| Molweight | 234.23 |
| MonoisotopicMass | 234.076634 |
| CLogP | -1.3538 |
| CLogS | -1.85 |
| H Acceptors | 5 |
| TotalSurfaceArea | 183.06 |
| Relative PSA | 0.31695 |
| PolarSurfaceArea | 73.58 |
| Druglikeness | 4.3238 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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