(1R,2R)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid
Formula:C11H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,2R)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid is a drug-like molecule.
| MolName | (1R,2R)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid |
| MolecularFormula | C11H13NO2 |
| Smiles | NC[C@H](C1)[C@@]1(C(O)=O)c1ccccc1 |
| InChI | InChI=1S/C11H13NO2/c12-7-9-6-11(9,10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1 |
| InChIK | RKFHJXBVMPGLRG-KOLCDFICSA-N |
| TotalMolweight | 191.229 |
| Molweight | 191.229 |
| MonoisotopicMass | 191.094629 |
| CLogP | -1.5159 |
| CLogS | -2.066 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 142.81 |
| Relative PSA | 0.28997 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -0.98093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| 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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1 - (1R,2R)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid | 2 - (1R,2R)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid
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