Basic information
- CAS
2353-17-5- Standard SMILES
O=C(O)C1=NC(C(=O)O)CCC1- InChIKey
CXMBCXQHOXUCEO-UHFFFAOYSA-N- Molecular formula
- C7H9NO4
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.05315777
Overview
2,3,4,5-tetrahydrodipicolinic acid is an amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions. It has a role as an Escherichia coli metabolite. It is a tetrahydropyridine and an amino dicarboxylic acid. It is functionally related to a dipicolinic acid. It is a conjugate acid of a 2,3,4,5-tetrahydrodipicolinate(2-).
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylic acid
- IUPAC
- 2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid
- English name
- 2,3,4,5-tetrahydro-2,6-pyridinedicarboxylic acid
- Molecular formula
- C7H9NO4
- Molecular weight
- 171.15
Names & synonyms
2353-17-5THDPA2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylic acid2,3,4,5-Tetrahydro-2,6-dipicolinateRefChem:812542,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid2,3,4,5-tetrahydrodipicolinic acid2,6-Pyridinedicarboxylic acid, 2,3,4,5-tetrahydro-2,6-Pyridinedicarboxylicacid, 2,3,4,5-tetrahydro-SCHEMBL346633CHEBI:32976DTXSID70946284
Show more names
AKOS026745456Q27115166
Database identifiers
- CAS
2353-17-5- PubChem CID
- 632
- DTXSID
DTXSID70946284- ChEBI
CHEBI:32976- Nikkaji
- J793.978G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: An amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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