[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-phenoxybutanoate
Formula:C16H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-phenoxybutanoate is a drug-like molecule.
| MolName | [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-phenoxybutanoate |
| MolecularFormula | C16H18N2O4 |
| Smiles | C=C([C@@H](C(COC(CCCOc1ccccc1)=O)=O)C#N)N |
| InChI | InChI=1S/C16H18N2O4/c1-12(18)14(10-17)15(19)11-22-16(20)8-5-9-21-13-6-3-2-4-7-13/h2-4,6-7,14H,1,5,8-9,11,18H2/t14-/m0/s1 |
| InChIK | BOUMMTNXSYHIMT-AWEZNQCLSA-N |
| TotalMolweight | 302.329 |
| Molweight | 302.329 |
| MonoisotopicMass | 302.126658 |
| CLogP | 1.4867 |
| CLogS | -3.093 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.28 |
| Relative PSA | 0.30051 |
| PolarSurfaceArea | 102.41 |
| Druglikeness | -10.516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-phenoxybutanoate | 2 - [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-phenoxybutanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off