(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid
PubChem CID: 12300212
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| Compound Synonyms | 21857-97-6, DTXSID701159611, (7R)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridine-4-carboxylic acid |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | C[C@@H]CCcc5cncc6C=O)O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CC2CCNCC2C1 |
| Classyfire Subclass | Pyridinecarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H11NO2 |
| Scaffold Graph Node Bond Level | c1cc2c(cn1)CCC2 |
| Inchi Key | RLNQBGQGMYNOCX-ZCFIWIBFSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-boschniakinic-acid |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O, cnc |
| Compound Name | (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid |
| Exact Mass | 177.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H11NO2/c1-6-2-3-7-8(6)4-11-5-9(7)10(12)13/h4-6H,2-3H2,1H3,(H,12,13)/t6-/m1/s1 |
| Smiles | C[C@@H]1CCC2=C(C=NC=C12)C(=O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Plantago Ovata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279