4-Oxo-4-[(2,4,5-trimethylphenyl)amino]butanoic acid
Basic information
- CAS
187028-76-8- Standard SMILES
Cc1cc(C)c(NC(=O)CCC(=O)O)cc1C- InChIKey
MQAKIODKLHAONP-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- 4-Oxo-4-[(2,4,5-trimethylphenyl)amino]butanoic acid
- IUPAC
- 4-oxo-4-(2,4,5-trimethylanilino)butanoic acid
Names & synonyms
4-oxo-4-[(2,4,5-trimethylphenyl)amino]butanoic acid187028-76-84-Oxo-4-((2,4,5-trimethylphenyl)amino)butanoic acidRefChem:2952394-Oxo-4-(2,4,5-trimethylanilino)butanoic acidOprea1_437642SCHEMBL14426835CCG-364MQAKIODKLHAONP-UHFFFAOYSA-NDTXSID701222466
Database identifiers
- CAS
187028-76-8- PubChem CID
- 585097
- DTXSID
DTXSID701222466
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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