Basic information
- Standard SMILES
N[C@H](C[C@](O)(Cc1ccccc1)C(=O)O)C(=O)O- InChIKey
PPSCTWNANZJDHZ-BXKDBHETSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
Names & identifiers
- Preferred name
- (2R,4R)-2-amino-4-benzyl-4-hydroxyglutaric acid
- IUPAC
- (2R,4R)-4-amino-2-benzyl-2-hydroxypentanedioic acid
Names & synonyms
PPSCTWNANZJDHZ-BXKDBHETSA-N(2R, 4R)-2-amino-4-benzyl-4-hydroxyglutaric acid(2R,4R)-2-amino-4-benzyl-4-hydroxyglutaric acid
Database identifiers
- PubChem CID
- 10354897
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
5 records
Compound notes
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