4,5-Dehydropipecolic acid
PubChem CID: 557590
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | baikiain, 498-98-6, 1,2,3,6-tetrahydropyridine-2-carboxylic acid, 1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, 1,2,3,6-TETRAHYDRO-PYRIDINE-2-CARBOXYLIC ACID, 4,5-Dehydropipecolic acid, (2R)-1,2,3,6-tetrahydropyridine-2-carboxylic acid, 439913-00-5, SCHEMBL1476768, DTXSID20964413, YCQPUTODZKESPK-UHFFFAOYSA-N, SB46020, 1,2,3,6-Tetrahydropyridin-2-carboxylic acid, EN300-2118681, 1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid # |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | YCQPUTODZKESPK-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4,5-Dehydropipecolic acid, 4,5-Dehydropipecolic acid, (+-)-isomer, 4,5-Dehydropipecolic acid, (S)-isomer |
| Heavy Atom Count | 9.0 |
| Compound Name | 4,5-Dehydropipecolic acid |
| Kingdom | Organic compounds |
| Description | Baikiain, also known as 4,5-dehydropipecolic acid, (+-)-isomer, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Baikiain is soluble (in water) and a moderately acidic compound (based on its pKa). Baikiain can be found in date, which makes baikiain a potential biomarker for the consumption of this food product. |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.063 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,6-tetrahydropyridine-2-carboxylic acid |
| Total Atom Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Carboxylic acids and derivatives |
| Inchi | InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9) |
| Smiles | C1C=CCNC1C(=O)O |
| Xlogp | -2.2 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Amino acids, peptides, and analogues |
| Taxonomy Direct Parent | Alpha amino acids |
| Molecular Formula | C6H9NO2 |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all