Basic information
- Standard SMILES
CCCCOc1ccc(CC(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1- InChIKey
OUWSJVDJSZDBCM-IAQYHMDHSA-N- Molecular formula
- C16H23NO5
- Average molar mass
- 309.36 g/mol
Names & identifiers
- Preferred name
- N-[(4-butoxyphenyl)acetyl)-D-allo-Threonine
- IUPAC
- (2R,3R)-2-[[2-(4-butoxyphenyl)acetyl]amino]-3-hydroxybutanoic acid
Names & synonyms
N-[(4-butoxyphenyl)acetyl)-D-allo-ThreonineN-[(4-butoxyphenyl)acetyl]-D-allo-ThreonineSCHEMBL8823476OUWSJVDJSZDBCM-IAQYHMDHSA-N
Database identifiers
- PubChem CID
- 22851679
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Related reactions
6 records
Compound notes
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