2-(3,5-Dimethyl-phenylamino)-propionic acid
Basic information
- CAS
1345697-83-7- Standard SMILES
Cc1cc(C)cc(NC(C)C(=O)O)c1- InChIKey
HAGIIYMZPYANKO-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 2-(3,5-Dimethyl-phenylamino)-propionic acid
- IUPAC
- 2-(3,5-dimethylanilino)propanoic acid
Names & synonyms
2-(3,5-Dimethyl-phenylamino)-propionic acid2-(3,5-dimethylanilino)propanoic acid725234-43-51345697-83-72-((3,5-Dimethylphenyl)amino)propanoic acidN-(3,5-dimethylphenyl)alanineSCHEMBL28079096DTXSID00374410DTXSID101307258AKOS0001022002-(3,5-dimethylphenylamino)propionic acid
Database identifiers
- CAS
1345697-83-7、725234-43-5- PubChem CID
- 2758596
- DTXSID
DTXSID00374410
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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