Basic information
- Standard SMILES
Cc1ccc(CC(=O)NC(C)C(=O)OCC(C)C)cc1- InChIKey
IUNSPPJGGDHBHO-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
Names & identifiers
- Preferred name
- N-[(4methylphenyl)acetyl]-D,L-alanine Iso-butyl Ester
- IUPAC
- 2-methylpropyl 2-[[2-(4-methylphenyl)acetyl]amino]propanoate
Names & synonyms
SCHEMBL4552318IUNSPPJGGDHBHO-UHFFFAOYSA-NN-[(4-methylphenyl)acetyl]-D,L-alanine iso-butyl esterN-[(4methylphenyl)acetyl]-D,L-alanine Iso-butyl Ester
Database identifiers
- PubChem CID
- 22492098
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
27 records
Compound notes
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