Basic information
- CAS
13033-44-8- Standard SMILES
CC(C)(CC(=O)Nc1ccccc1)C(=O)O- InChIKey
HEOAVFYVUJGKOR-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 4-Anilino-2,2-dimethyl-4-oxobutanoic acid
- IUPAC
- 4-anilino-2,2-dimethyl-4-oxobutanoic acid
Names & synonyms
NSC992414-anilino-2,2-dimethyl-4-oxobutanoic acid13033-44-8NSC-99241NCIStruc1_000733NCIStruc2_000352CHEMBL1742207DTXSID30295008NCI99241CCG-38087NCGC00014027AKOS013585738
Show more names
NCGC00014027-02NCGC00097136-01NCI60_042222
Database identifiers
- CAS
13033-44-8- PubChem CID
- 264241
- DTXSID
DTXSID30295008- ChEMBL
CHEMBL1742207
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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