3-(4-Amino-3-methyl-benzoyl)-propionic acid
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Basic information
- Standard SMILES
Cc1cc(C(=O)CCC(=O)O)ccc1N- InChIKey
JXGYTOWQWYQITR-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 3-(4-Amino-3-methyl-benzoyl)-propionic acid
- IUPAC
- 4-(4-amino-3-methylphenyl)-4-oxobutanoic acid
Names & synonyms
SCHEMBL10764064JXGYTOWQWYQITR-UHFFFAOYSA-N3-(4-amino-3-methyl-benzoyl)-propionic acid
Database identifiers
- PubChem CID
- 20162922
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
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Related reactions
3 records
Compound notes
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