(2S)-1-[nitroso(oxido)amino]pyrrolidine-2-carboxylic acid
Formula:C5H8N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2S)-1-[nitroso(oxido)amino]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | (2S)-1-[nitroso(oxido)amino]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C5H8N3O4 |
| Smiles | [O-]N(N(CCC1)[C@@H]1C(O)=O)N=O |
| InChI | InChI=1S/C5H8N3O4/c9-5(10)4-2-1-3-7(4)8(12)6-11/h4H,1-3H2,(H,9,10)/q-1/t4-/m0/s1 |
| InChIK | DRJSHOIJIOAXOZ-BYPYZUCNSA-N |
| TotalMolweight | 174.136 |
| Molweight | 174.136 |
| MonoisotopicMass | 174.051482 |
| CLogP | -0.8758 |
| CLogS | -0.325 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 123.81 |
| Relative PSA | 0.5821 |
| PolarSurfaceArea | 96.27 |
| Druglikeness | -0.56361 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S)-1-[nitroso(oxido)amino]pyrrolidine-2-carboxylic acid | 2 - (2S)-1-[nitroso(oxido)amino]pyrrolidine-2-carboxylic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off