Isoguvacine
PubChem CID: 3765
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| Compound Synonyms | isoguvacine, 64603-90-3, 1,2,3,6-tetrahydropyridine-4-carboxylic acid, 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid, 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid, YTF580771Y, CHEMBL39071, CHEBI:34799, DTXSID30214855, UNII-YTF580771Y, MFCD01365699, AC1OEMUS, Spectrum_001974, Tocris-0235, Lopac-G-002, Spectrum3_001869, Biomol-NT_000254, Lopac0_000561, BSPBio_003318, KBioSS_002540, DivK1c_000115, SCHEMBL339700, BPBio1_000882, GTPL4226, KBio1_000115, KBio2_002531, KBio2_005099, KBio2_007667, KBio3_002820, DTXCID60137346, KRVDMABBKYMBHG-UHFFFAOYSA-N, NINDS_000115, BDBM50032955, STK504020, ZINC03872953, AKOS006343506, CCG-204651, SB38116, SDCCGSBI-0050544.P003, IDI1_000115, NCGC00015456-01, NCGC00015456-02, NCGC00015456-03, NCGC00015456-04, NCGC00015456-05, NCGC00015456-09, NCGC00024509-01, NCGC00024509-02, NCGC00024509-03, DA-17730, 1,2,3,6-tetrahydropyridinium-4-carboxylate, CS-0342300, EN300-152783, 1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate, Q6085784, BRD-K66480997-003-10-0, 1,2,3,6-Tetrahydropyridine-4-carboxylic Acid (Isoguvacine), 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, 1,2,3,6-Tetrahydropyridine-4-carboxylic acid, |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)C=CCNCC6 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Hydropyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,6-tetrahydropyridine-4-carboxylic acid |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -2.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Hydropyridines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H9NO2 |
| Scaffold Graph Node Bond Level | C1=CCNCC1 |
| Inchi Key | KRVDMABBKYMBHG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | Isoguvacine hydrobromide, Isoguvacine hydrochloride, isoguvacine |
| Esol Class | Highly soluble |
| Functional Groups | CC=C(C)C(=O)O, CNC |
| Compound Name | Isoguvacine |
| Kingdom | Organic compounds |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9) |
| Smiles | C1CNCC=C1C(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydropyridines |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
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