(3R)-3-amino-4-phenylbutanoic acid
Formula:C10H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-phenylbutanoic acid |
| MolecularFormula | C10H13NO2 |
| Smiles | N[C@@H](CC(O)=O)Cc1ccccc1 |
| InChI | InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1 |
| InChIK | OFVBLKINTLPEGH-SECBINFHSA-N |
| TotalMolweight | 179.218 |
| Molweight | 179.218 |
| MonoisotopicMass | 179.094629 |
| CLogP | -1.0948 |
| CLogS | -1.811 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 145.9 |
| Relative PSA | 0.28382 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -0.65809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (3R)-3-amino-4-phenylbutanoic acid | 2 - (3R)-3-amino-4-phenylbutanoic acid
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