6-[[(E)-3-carboxyprop-2-enoyl]amino]hexanoic acid
Formula:C10H15NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[[(E)-3-carboxyprop-2-enoyl]amino]hexanoic acid is a drug-like molecule.
| MolName | 6-[[(E)-3-carboxyprop-2-enoyl]amino]hexanoic acid |
| MolecularFormula | C10H15NO5 |
| Smiles | OC(CCCCCNC(/C=C/C(O)=O)=O)=O |
| InChI | InChI=1S/C10H15NO5/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(13)14/h5-6H,1-4,7H2,(H,11,12)(H,13,14)(H,15,16) |
| InChIK | OHQFLBMAHZJOJA-UHFFFAOYSA-N |
| TotalMolweight | 229.231 |
| Molweight | 229.231 |
| MonoisotopicMass | 229.095024 |
| CLogP | -0.0175 |
| CLogS | -1.093 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 186.21 |
| Relative PSA | 0.41233 |
| PolarSurfaceArea | 103.7 |
| Druglikeness | -9.2974 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8125 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Sp3Atoms | 7 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-[[(E)-3-carboxyprop-2-enoyl]amino]hexanoic acid | 2 - 6-[[(E)-3-carboxyprop-2-enoyl]amino]hexanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off