ethyl 3-aminobut-3-enoate
Formula:C6H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 3-aminobut-3-enoate is a drug-like molecule.
| MolName | ethyl 3-aminobut-3-enoate |
| MolecularFormula | C6H11NO2 |
| Smiles | CCOC(CC(N)=C)=O |
| InChI | InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h2-4,7H2,1H3 |
| InChIK | RQUGUOOTKGZIRN-UHFFFAOYSA-N |
| TotalMolweight | 129.158 |
| Molweight | 129.158 |
| MonoisotopicMass | 129.078979 |
| CLogP | 0.6939 |
| CLogS | -1.373 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 112.3 |
| Relative PSA | 0.34114 |
| PolarSurfaceArea | 52.32 |
| Druglikeness | -14.125 |
| 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 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - ethyl 3-aminobut-3-enoate | 2 - ethyl 3-aminobut-3-enoate
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