4-Amino-2-(4-methoxyphenyl)-4-oxobutanoic acid
Basic information
- CAS
5468-16-6- Standard SMILES
COc1ccc(C(CC(N)=O)C(=O)O)cc1- InChIKey
DCRYCSHWUVYXNX-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 4-Amino-2-(4-methoxyphenyl)-4-oxobutanoic acid
- IUPAC
- 4-amino-2-(4-methoxyphenyl)-4-oxobutanoic acid
- English name
- 3-carbamoyl-2-(4-methoxyphenyl)propanoic acid
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
5468-16-64-amino-2-(4-methoxyphenyl)-4-oxobutanoic acidNSC25367Oprea1_702960DTXSID50282293NSC-253673-carbamoyl-2-(4-methoxyphenyl)propanoic acidBenzeneacetic acid, α-(2-amino-2-oxoethyl)-4-methoxy-
Database identifiers
- CAS
5468-16-6- PubChem CID
- 230451
- DTXSID
DTXSID50282293
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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