(2R)-3-amino-2-(2-piperidin-1-ylacetyl)but-3-enenitrile
Formula:C11H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2R)-3-amino-2-(2-piperidin-1-ylacetyl)but-3-enenitrile is a drug-like molecule.
| MolName | (2R)-3-amino-2-(2-piperidin-1-ylacetyl)but-3-enenitrile |
| MolecularFormula | C11H17N3O |
| Smiles | C=C([C@@H](C(CN1CCCCC1)=O)C#N)N |
| InChI | InChI=1S/C11H17N3O/c1-9(13)10(7-12)11(15)8-14-5-3-2-4-6-14/h10H,1-6,8,13H2/t10-/m0/s1 |
| InChIK | UJJSEZSPSZNSDD-JTQLQIEISA-N |
| TotalMolweight | 207.276 |
| Molweight | 207.276 |
| MonoisotopicMass | 207.137162 |
| CLogP | 0.4278 |
| CLogS | -1.779 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 176.09 |
| Relative PSA | 0.25794 |
| PolarSurfaceArea | 70.12 |
| Druglikeness | -4.7175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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