(3R)-3-amino-4-thiophen-3-ylbutanoic acid
Formula:C8H11NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-thiophen-3-ylbutanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-thiophen-3-ylbutanoic acid |
| MolecularFormula | C8H11NO2S |
| Smiles | N[C@@H](CC(O)=O)Cc1cscc1 |
| InChI | InChI=1S/C8H11NO2S/c9-7(4-8(10)11)3-6-1-2-12-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1 |
| InChIK | AZWUDBISUBOQFK-SSDOTTSWSA-N |
| TotalMolweight | 185.246 |
| Molweight | 185.246 |
| MonoisotopicMass | 185.051049 |
| CLogP | -1.3104 |
| CLogS | -1.711 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 141.84 |
| Relative PSA | 0.43549 |
| PolarSurfaceArea | 91.56 |
| Druglikeness | 0.23649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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