(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid
Basic information
- Standard SMILES
O=C(O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O- InChIKey
SDVXSCSNVVZWDD-LURJTMIESA-N- Molecular formula
- C11H15NO8
- Average molar mass
- 289.24 g/mol
- Monoisotopic mass
- 289.07976644
Overview
L-2-succinylamino-6-oxoheptanedioic acid is a tricarboxylic acid consisting of L-2-amino-6-oxoheptanedioic acid having a succinoyl group attached to the nitrogen. It is functionally related to a pimelic acid. It is a conjugate acid of a L-2-succinylamino-6-oxoheptanedioate(3-).
Names & identifiers
- Preferred name
- (2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid
- IUPAC
- (2S)-2-(3-carboxypropanoylamino)-6-oxoheptanedioic acid
Names & synonyms
L-2-succinylamino-6-oxoheptanedioic acidN-Succinyl-2-amino-6-oxo-L-pimelic acid(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acidN-Succinyl-epsilon-keto-L-aminopimelic acidN-Succinyl-L-2-amino-6-oxopimelateN-Succinyl-2-L-amino-6-oxoheptanedioate(S)-2-(Succinylamino)-6-oxoheptanedioateN-succinyl-2-amino-6-ketopimelateN-succinyl-L-2-amino-6-oxoheptanedioatesuccinyl-epsilon-keto-alpha-aminopimelateCHEMBL175209SCHEMBL17285498
Show more names
CHEBI:35266DTXSID901344226L-2-succinylamino-6-oxoheptanedioateN-Succinyl-2-L-amino-6-oxoheptanedioic acidN-succinyl-L-2-amino-6-oxoheptanedioic acid(S)-2-(Succinylamino)-6-oxoheptanedioic acidC04462(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioate
Database identifiers
- PubChem CID
- 440349
- DTXSID
DTXSID901344226- ChEMBL
CHEMBL175209- ChEBI
CHEBI:35266- Nikkaji
- J788.069C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Physical DescriptionSolid
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Related reactions
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Compound notes
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