(S)-2,3,4,5-tetrahydrodipicolinic acid
Basic information
- CAS
4226-22-6- Standard SMILES
O=C(O)C1=N[C@H](C(=O)O)CCC1- InChIKey
CXMBCXQHOXUCEO-BYPYZUCNSA-N- Molecular formula
- C7H9NO4
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.05315777
Overview
(S)-2,3,4,5-tetrahydrodipicolinic acid is the (2S)-stereoisomer of 2,3,4,5-tetrahydrodipicolinic acid. It is a conjugate acid of a (S)-2,3,4,5-tetrahydrodipicolinate(2-).
Names & identifiers
- Preferred name
- (S)-2,3,4,5-tetrahydrodipicolinic acid
- IUPAC
- (2S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid
Names & synonyms
(S)-2,3,4,5-tetrahydrodipicolinic acid(2S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acidCHEBI:864RefChem:10511462,3,4,5-tetrahydrodipicolinateL-2,3,4,5-TetrahydrodipicolinateL-2,3,4,5-tetrahydrodipicolinic acidtetrahydrodipicolinate(S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylateDelta1-piperideine-2,6-dicarboxylatedelta1-Piperidine-2,6-dicarboxylateSCHEMBL2899918
Show more names
DTXSID3012145764226-22-6C03972Q27105375(2S)-2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylic acid
Database identifiers
- CAS
4226-22-6- PubChem CID
- 440179
- DTXSID
DTXSID301214576- ChEBI
CHEBI:864- Nikkaji
- J603.133A
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
Experimental & physicochemical properties
Physical DescriptionSolid
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Compound notes
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