2-(Methylamino)-4-phenylbutanoic acid
Basic information
- CAS
5443-52-7- Standard SMILES
CNC(CCc1ccccc1)C(=O)O- InChIKey
NVXKJPGRZSDYPK-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 2-(Methylamino)-4-phenylbutanoic acid
- IUPAC
- 2-(methylamino)-4-phenylbutanoic acid
Names & synonyms
2-(methylamino)-4-phenylbutanoic acid5443-52-7NSC19810SCHEMBL12683553DTXSID50281029NSC-198102-methylamino-4-phenyl-butanoic acidAKOS012176684DS-013454
Database identifiers
- CAS
5443-52-7- PubChem CID
- 227772
- DTXSID
DTXSID50281029
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
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Compound notes
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