(R)-2-Benzylsuccinic acid
Basic information
- CAS
21307-97-1- Standard SMILES
O=C(O)C[C@@H](Cc1ccccc1)C(=O)O- InChIKey
GTOFKXZQQDSVFH-SECBINFHSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
(R)-2-benzylsuccinic acid is the (R)-enantiomer of 2-benzylsuccinic acid. It has a role as a xenobiotic metabolite.
Names & identifiers
- Preferred name
- (R)-2-Benzylsuccinic acid
- IUPAC
- (2R)-2-benzylbutanedioic acid
- English name
- (R)-2-Benzylsuccinic acid
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
(R)-2-benzylsuccinic acid(2R)-2-benzylbutanedioic acidl-benzylsuccinic acid(2R)-2-benzylsuccinic acidCHEBI:41241RefChem:7023221307-97-1Butanedioic acid, (phenylmethyl)-, (2R)-Butanedioic acid,2-(phenylmethyl)-, (2R)-MFCD08282615CHEMBL259621Mitiglinide Impurity 7
Show more names
R(+)-BenzylsuccinateMitiglinide Impurity D(R)-2-Benzylbutanedioic acid(2R)-2-(Phenylmethyl)butanedioic acid(R)-2-BENZYLSUCCINIC ACID / 21307-97-1
1cbx1whtBZSD-Benzylsuccinic acid(r)-benzylsuccinic acidButanedioic acid, (phenylmethyl)-, (R)-r-2-benzylsuccinic acid(R)-2-benzylsuccinicacid
Database identifiers
- CAS
21307-97-1- PubChem CID
- 444797
- DTXSID
DTXSID901347313- ChEMBL
CHEMBL259621- ChEBI
CHEBI:41241- UNII
- 7NNA3JFN4J
- Nikkaji
- J1.216.713J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.29 · 1.290
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: (R)-2-benzylsuccinic acid is the (R)-enantiomer of 2-benzylsuccinic acid. It has a role as a xenobiotic metabolite.
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Compound notes
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