(3R)-3-aminohex-5-ynoic acid
Formula:C6H9NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-aminohex-5-ynoic acid is a drug-like molecule.
| MolName | (3R)-3-aminohex-5-ynoic acid |
| MolecularFormula | C6H9NO2 |
| Smiles | C#CC[C@H](CC(O)=O)N |
| InChI | InChI=1S/C6H9NO2/c1-2-3-5(7)4-6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m1/s1 |
| InChIK | DWFMCQGMVSIJBN-RXMQYKEDSA-N |
| TotalMolweight | 127.142 |
| Molweight | 127.142 |
| MonoisotopicMass | 127.063329 |
| CLogP | -2.4614 |
| CLogS | -1.27 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 109.95 |
| Relative PSA | 0.37663 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -2.0096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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