N-Nitrosoguvacine
PubChem CID: 62102
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-NITROSOGUVACINE, 55557-01-2, 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylic acid, BRN 0131724, 1,2,5,6-Tetrahydro-1-nitroso-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-nitroso-, DTXSID90204111, Nitrosoguvacine, Nitrosoguvacine, 1,2,5,6-Tetrahydro-1-nitroso-3-pyridinecarboxylic Acid, , 1-nitroso-1,2,5,6-tetrahydropyridine-3-carboxylic acid, CHEBI:82511, DTXCID90126602, AKOS006277643, 1,2,5,6Tetrahydro1nitrosonicotinic acid, 1ST170175, DB-231562, C19481, 1,2,5,6Tetrahydro1nitroso3pyridinecarboxylic acid, 3Pyridinecarboxylic acid, 1,2,5,6tetrahydro1nitroso, Q27156023, 1-Nitroso-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | O=NNCCC=CC6)C=O)O |
| Heavy Atom Count | 11.0 |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8N2O3 |
| Scaffold Graph Node Bond Level | C1=CCNCC1 |
| Inchi Key | XAZBVEFQMFZFEZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | n-nitrosoguvacine |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C(=O)O, CN(C)N=O |
| Compound Name | N-Nitrosoguvacine |
| Exact Mass | 156.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 156.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10) |
| Smiles | C1CN(CC(=C1)C(=O)O)N=O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Reference:ISBN:9788172362089