4-Amino-3-(4-methoxy-3-methylphenyl)butanoic acid

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Basic information

CAS: 24314-17-8
Standard SMILES: COc1ccc(C(CN)CC(=O)O)cc1C
InChIKey: BHLBMOKYQUNLNW-UHFFFAOYSA-N
Molecular formula: C12H17NO3
Average molar mass: 223.27 g/mol
Monoisotopic mass: 223.1208434

Names & identifiers

Preferred name: 4-Amino-3-(4-methoxy-3-methylphenyl)butanoic acid
IUPAC: 4-amino-3-(4-methoxy-3-methylphenyl)butanoic acid

Names & synonyms

4-amino-3-(4-methoxy-3-methylphenyl)butanoic acid24314-17-8DTXSID701206442AKOS015441971CS-0345548EN300-18446664-amino-3-(4-methoxy-3-methyl-phenyl)butanoic acidI(2)-(Aminomethyl)-4-methoxy-3-methylbenzenepropanoic acidBenzenepropanoic acid, beta-(aminomethyl)-4-methoxy-3-methyl-

Database identifiers

CAS: 24314-17-8
PubChem CID: 66099152
DTXSID: DTXSID701206442

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 232

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Compound notes

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