Basic information
- CAS
58271-38-8- Standard SMILES
Cc1ccc(NC(=O)CC(=O)O)c(C)c1- InChIKey
BIJQKKGPZNKXKX-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 3-[(2,4-Dimethylphenyl)amino]-3-oxopropanoic acid
- IUPAC
- 3-(2,4-dimethylanilino)-3-oxopropanoic acid
Names & synonyms
58271-38-83-[(2,4-dimethylphenyl)amino]-3-oxopropanoic acid3-((2,4-Dimethylphenyl)amino)-3-oxopropanoic acid3-(2,4-Dimethylanilino)-3-oxopropanoic acidMFCD086858263-((2,4-Dimethylphenyl)amino)-3-oxopropanoicacid3-[(2,4-Dimethylphenyl)amino]-3-oxopropanoicacid2-[(2,4-dimethylphenyl)carbamoyl]acetic acidCHEMBL4929628DTXSID20483316STK256837AKOS003665037
Show more names
SB77465BS-38230DB-193646CS-0365402F3101613-[(2,4-dimethylphenyl)amino]-3-oxidanylidene-propanoic acid
Database identifiers
- CAS
58271-38-8- PubChem CID
- 12269727
- DTXSID
DTXSID20483316- ChEMBL
CHEMBL4929628
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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