(3R)-3-amino-4-(1H-indol-3-yl)butanoic acid
Formula:C12H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(1H-indol-3-yl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(1H-indol-3-yl)butanoic acid |
| MolecularFormula | C12H14N2O2 |
| Smiles | N[C@@H](CC(O)=O)Cc1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m1/s1 |
| InChIK | DUVVFMLAHWNDJD-SECBINFHSA-N |
| TotalMolweight | 218.255 |
| Molweight | 218.255 |
| MonoisotopicMass | 218.105528 |
| CLogP | -1.0554 |
| CLogS | -2.336 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 170.07 |
| Relative PSA | 0.32575 |
| PolarSurfaceArea | 79.11 |
| Druglikeness | 0.15853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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