3-(Ethyl(phenyl)amino)propanoic acid
Basic information
- CAS
3334-57-4- Standard SMILES
CCN(CCC(=O)O)c1ccccc1- InChIKey
JACCLQAUXMZURT-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 3-(Ethyl(phenyl)amino)propanoic acid
- IUPAC
- 3-(N-ethylanilino)propanoic acid
Names & synonyms
N-ethyl-N-phenyl-beta-alanine3334-57-43-(ethyl(phenyl)amino)propanoic acid3-(N-ethylanilino)propanoic acidSMR000145246Oprea1_273765MLS000551320N-Ethyl-N-phenyl-|A-alanineSCHEMBL8018555CHEMBL1570946N-Ethyl-N-phenyl-I(2)-alanineDTXSID001311608
Show more names
HMS2155H20HMS3321P16STL353513AKOS0002983463-(Ethyl-phenyl-amino)-propionic acid
Database identifiers
- CAS
3334-57-4- PubChem CID
- 910534
- DTXSID
DTXSID001311608- ChEMBL
CHEMBL1570946
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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