2-amino-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Formula:C9H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid is a drug-like molecule.
| MolName | 2-amino-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid |
| MolecularFormula | C9H9N3O2 |
| Smiles | NC(C(O)=O)c1c[nH]c2c1cccn2 |
| InChI | InChI=1S/C9H9N3O2/c10-7(9(13)14)6-4-12-8-5(6)2-1-3-11-8/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m1/s1 |
| InChIK | JAOJSANZQPPJLZ-SSDOTTSWSA-N |
| TotalMolweight | 191.189 |
| Molweight | 191.189 |
| MonoisotopicMass | 191.069477 |
| CLogP | -2.7305 |
| CLogS | -1.697 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 141.31 |
| Relative PSA | 0.46968 |
| PolarSurfaceArea | 92 |
| Druglikeness | -5.7622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-amino-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid | 2 - 2-amino-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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