Basic information
- Standard SMILES
CCCCCCC(=O)N[C@@H](C(=O)O)[C@@H](C)O- InChIKey
TXIMRMDTVSVYNT-PSASIEDQSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
Names & identifiers
- Preferred name
- 1-oxoheptyl-D-allo-Threonine
- IUPAC
- (2R,3R)-2-(heptanoylamino)-3-hydroxybutanoic acid
Names & synonyms
1-oxoheptyl-D-allo-ThreonineSCHEMBL8823501TXIMRMDTVSVYNT-PSASIEDQSA-NN-(1-oxoheptyl)-D-allo-Threonine
Database identifiers
- PubChem CID
- 22851676
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
5 records
Compound notes
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