Basic information
- Standard SMILES
Cc1ccc(CC(=O)N[C@@H](C)C(=O)OCC(C)C)cc1- InChIKey
IUNSPPJGGDHBHO-ZDUSSCGKSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- N-[(4-methylphenyl)acetyl]alanine iso-butyl ester
- IUPAC
- 2-methylpropyl (2S)-2-[[2-(4-methylphenyl)acetyl]amino]propanoate
Names & synonyms
SCHEMBL4415496IUNSPPJGGDHBHO-ZDUSSCGKSA-NN-[(4-methylphenyl)acetyl]alanine iso-butyl esterN-[(4methylphenyl)acetyl]-L-alanine iso-butyl esterN-[(4-methylphenyl)acetyl]-L-alanine Iso-butyl Ester
Database identifiers
- PubChem CID
- 53936136
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
26 records
Compound notes
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