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CAS 102601-55-8

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2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid

Description:
2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid, with CAS number 102601-55-8, is a chemical compound characterized by its complex structure, which includes both amino and carboxylic acid functional groups. This compound features a benzoic acid core, which is substituted at specific positions by an amino group and a propanoyl side chain. The presence of the carboxylic acid group contributes to its acidic properties, while the amino group can participate in hydrogen bonding and may influence its solubility in polar solvents. The branched alkyl chain enhances its hydrophobic characteristics, potentially affecting its biological activity and interaction with other molecules. This compound may be of interest in pharmaceutical research due to its potential biological activity, possibly acting as an intermediate in the synthesis of more complex molecules or as a ligand in biochemical applications. Its stability, reactivity, and solubility will depend on the pH and the presence of other functional groups in the environment.
Formula:C16H21NO5
InChI:InChI=1S/C16H21NO5/c1-4-13(18)10-6-5-7-11(14(10)16(21)22)17-12(15(19)20)8-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H,19,20)(H,21,22)
InChI key:InChIKey=XAPOPSQDCLWKOB-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C(CC)=O)C=CC=C1NC(CC(C)C)C(O)=O
Synonyms:
  • 2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid
  • Benzoic acid, 2-[(1-carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)-
  • Benzoic acid, 2-[(1-carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)-, (±)-
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