(1S,2S)-2-(prop-2-enylcarbamoyl)cyclohexane-1-carboxylic acid
Formula:C11H17NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2S)-2-(prop-2-enylcarbamoyl)cyclohexane-1-carboxylic acid is a drug-like molecule.
| MolName | (1S,2S)-2-(prop-2-enylcarbamoyl)cyclohexane-1-carboxylic acid |
| MolecularFormula | C11H17NO3 |
| Smiles | C=CCNC([C@@H](CCCC1)[C@H]1C(O)=O)=O |
| InChI | InChI=1S/C11H17NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1 |
| InChIK | SLRAUCUDDYGPJP-IUCAKERBSA-N |
| TotalMolweight | 211.26 |
| Molweight | 211.26 |
| MonoisotopicMass | 211.120844 |
| CLogP | 0.6669 |
| CLogS | -1.921 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 171.65 |
| Relative PSA | 0.29502 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -5.9297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (1S,2S)-2-(prop-2-enylcarbamoyl)cyclohexane-1-carboxylic acid | 2 - (1S,2S)-2-(prop-2-enylcarbamoyl)cyclohexane-1-carboxylic acid
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