(3R)-3-amino-4-(4-hydroxyphenyl)butanoic acid
Formula:C10H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(4-hydroxyphenyl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(4-hydroxyphenyl)butanoic acid |
| MolecularFormula | C10H13NO3 |
| Smiles | N[C@@H](CC(O)=O)Cc(cc1)ccc1O |
| InChI | InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m1/s1 |
| InChIK | VUNPIAMEJXBAFP-MRVPVSSYSA-N |
| TotalMolweight | 195.217 |
| Molweight | 195.217 |
| MonoisotopicMass | 195.089544 |
| CLogP | -1.4405 |
| CLogS | -1.515 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 152.25 |
| Relative PSA | 0.35803 |
| PolarSurfaceArea | 83.55 |
| Druglikeness | -0.65809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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