4-(Acetylamino)-2-methoxybenzenepropanoic acid
Basic information
- CAS
857771-09-6- Standard SMILES
COc1cc(NC(C)=O)ccc1CCC(=O)O- InChIKey
UEKAVTNPFNSQIT-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 4-(Acetylamino)-2-methoxybenzenepropanoic acid
- IUPAC
- 3-(4-acetamido-2-methoxyphenyl)propanoic acid
Names & synonyms
DTXSID4012457823-(4-Acetamido-2-methoxyphenyl)propanoic acid4-(Acetylamino)-2-methoxybenzenepropanoic acid857771-09-6
Database identifiers
- CAS
857771-09-6- PubChem CID
- 82254366
- DTXSID
DTXSID401245782
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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