3-Chloro-2-methoxy-5-methylphenylalanine
Basic information
- CAS
603105-72-2- Standard SMILES
COc1c(Cl)cc(C)cc1CC(N)C(=O)O- InChIKey
QMJNZSCLKLYPGM-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO3
- Average molar mass
- 243.68 g/mol
- Monoisotopic mass
- 243.06622099
Names & identifiers
- Preferred name
- 3-Chloro-2-methoxy-5-methylphenylalanine
- IUPAC
- 2-amino-3-(3-chloro-2-methoxy-5-methylphenyl)propanoic acid
Names & synonyms
3-Chloro-2-methoxy-5-methylphenylalanineDTXSID701274550603105-72-2
Database identifiers
- CAS
603105-72-2- PubChem CID
- 3934208
- DTXSID
DTXSID701274550
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
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Related reactions
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Compound notes
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