(E)-4-(2-carboxyethylamino)-4-oxobut-2-enoic acid
Formula:C7H9NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(2-carboxyethylamino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(2-carboxyethylamino)-4-oxobut-2-enoic acid |
| MolecularFormula | C7H9NO5 |
| Smiles | OC(CCNC(/C=C/C(O)=O)=O)=O |
| InChI | InChI=1S/C7H9NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-2H,3-4H2,(H,8,9)(H,10,11)(H,12,13) |
| InChIK | JYXLDXBKFBWKOV-UHFFFAOYSA-N |
| TotalMolweight | 187.15 |
| Molweight | 187.15 |
| MonoisotopicMass | 187.048074 |
| CLogP | -1.3807 |
| CLogS | -0.283 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 144.93 |
| Relative PSA | 0.52977 |
| PolarSurfaceArea | 103.7 |
| Druglikeness | 1.7367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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