4,5-Dehydropipecolic acid
PubChem CID: 557590
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| 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 # |
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| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,6-tetrahydropyridine-2-carboxylic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.2 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H9NO2 |
| 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 |
| Compound Name | 4,5-Dehydropipecolic acid |
| Kingdom | Organic compounds |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 127.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all