(E)-4-(4-carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid
Formula:C10H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(4-carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid |
| MolecularFormula | C10H14N2O4 |
| Smiles | NC(C(CC1)CCN1C(/C=C/C(O)=O)=O)=O |
| InChI | InChI=1S/C10H14N2O4/c11-10(16)7-3-5-12(6-4-7)8(13)1-2-9(14)15/h1-2,7H,3-6H2,(H2,11,16)(H,14,15) |
| InChIK | FUTKYSDETMSCMY-UHFFFAOYSA-N |
| TotalMolweight | 226.231 |
| Molweight | 226.231 |
| MonoisotopicMass | 226.095358 |
| CLogP | -0.9704 |
| CLogS | -0.543 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 172.46 |
| Relative PSA | 0.41192 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | 5.3625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-(4-carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid | 2 - (E)-4-(4-carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off