2-Methyl-4-oxo-4-(phenylamino)butanoic acid
Basic information
- CAS
3641-24-5- Standard SMILES
CC(CC(=O)Nc1ccccc1)C(=O)O- InChIKey
WOTSYQVYXBEKOX-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 2-Methyl-4-oxo-4-(phenylamino)butanoic acid
- IUPAC
- 4-anilino-2-methyl-4-oxobutanoic acid
Names & synonyms
4-anilino-2-methyl-4-oxobutanoic acid91133-68-52-methyl-4-oxo-4-(phenylamino)butanoic acidNSC144241DTXSID00301564DTXSID401295818NSC-144241Succinanilic acid, 2-methyl-, (+)-3641-24-5DS-010587Butanoic acid,2-methyl-4-oxo-4-(phenylamino)-
Database identifiers
- CAS
3641-24-5、91133-68-5- PubChem CID
- 286303
- DTXSID
DTXSID00301564- Nikkaji
- J338.342C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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