1,2,5,6-Tetrahydropyridine-3-carboxylic acid hydrochloride
PubChem CID: 11957555
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| Compound Synonyms | Guvacine hydrochloride, 6027-91-4, 1,2,5,6-tetrahydropyridine-3-carboxylic acid hydrochloride, 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid hydrochloride, Guvacine HCl, 1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Hydrochloride, 1,2,3,6-tetrahydropyridine-5-carboxylic acid, hydrochloride, GUVACINE HYDROCHLORIDE >96% \ GABA UPTAK, 1,2,3,6-Tetrahydropyridine-5-carboxylic acid hydrochloride, MLS000859975, SR-01000075614, SMR000326834, MFCD00055191, SPECTRUM1502126, SCHEMBL1057880, CHEMBL1256362, DTXSID801017446, Tox21_500571, CCG-38871, AKOS015849631, LP00571, SB37884, NCGC00093955-01, NCGC00093955-02, NCGC00093955-03, NCGC00261256-01, AC-34589, CS-13242, DB-126701, HY-100809, CS-0020452, EU-0100571, G-007, Guvacine hydrochloride, >=97% (NMR), solid, EN300-736806, SR-01000075614-1, SR-01000075614-3, SR-01000075614-6, Z1198149389, 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID HCL, 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, hydrochloride salt, 637-422-5 |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P54132, Q99549, Q96KQ7, Q13951, P83916, Q9UBT6, P24387, Q9Y6L6, Q9NPD5, n.a., P0DTD1 |
| Iupac Name | 1,2,3,6-tetrahydropyridine-5-carboxylic acid, hydrochloride |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT58 |
| Molecular Formula | C6H10ClNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGNUNVVTHHKDAM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.145 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.273 |
| Compound Name | 1,2,5,6-Tetrahydropyridine-3-carboxylic acid hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 163.6 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3141551999999998 |
| Inchi | InChI=1S/C6H9NO2.ClH/c8-6(9)5-2-1-3-7-4-5, /h2,7H,1,3-4H2,(H,8,9), 1H |
| Smiles | C1CNCC(=C1)C(=O)O.Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Garcinia Morella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all