(3R)-3-amino-4-pyridin-3-ylbutanoic acid
Formula:C9H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-pyridin-3-ylbutanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-pyridin-3-ylbutanoic acid |
| MolecularFormula | C9H12N2O2 |
| Smiles | N[C@@H](CC(O)=O)Cc1cnccc1 |
| InChI | InChI=1S/C9H12N2O2/c10-8(5-9(12)13)4-7-2-1-3-11-6-7/h1-3,6,8H,4-5,10H2,(H,12,13)/t8-/m1/s1 |
| InChIK | OODABKPTGCZGHL-MRVPVSSYSA-N |
| TotalMolweight | 180.206 |
| Molweight | 180.206 |
| MonoisotopicMass | 180.089878 |
| CLogP | -2.0957 |
| CLogS | -1.016 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 144.66 |
| Relative PSA | 0.36209 |
| PolarSurfaceArea | 76.21 |
| Druglikeness | -0.65809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| 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 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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