(3R)-3-amino-4-(3-cyanophenyl)butanoic acid
Formula:C11H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(3-cyanophenyl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(3-cyanophenyl)butanoic acid |
| MolecularFormula | C11H12N2O2 |
| Smiles | N[C@@H](CC(O)=O)Cc1cc(C#N)ccc1 |
| InChI | InChI=1S/C11H12N2O2/c12-7-9-3-1-2-8(4-9)5-10(13)6-11(14)15/h1-4,10H,5-6,13H2,(H,14,15)/t10-/m1/s1 |
| InChIK | CSBSIUBNUHRWDO-SNVBAGLBSA-N |
| TotalMolweight | 204.228 |
| Molweight | 204.228 |
| MonoisotopicMass | 204.089878 |
| CLogP | -1.2592 |
| CLogS | -2.584 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 167.61 |
| Relative PSA | 0.32796 |
| PolarSurfaceArea | 87.11 |
| Druglikeness | -4.9381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-3-amino-4-(3-cyanophenyl)butanoic acid | 2 - (3R)-3-amino-4-(3-cyanophenyl)butanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off