2-Amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
Basic information
- CAS
73243-09-1- Standard SMILES
COc1ccc(CS(=O)CC(N)C(=O)O)cc1- InChIKey
QCJDNLVTMDOYBN-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- 2-Amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
- IUPAC
- 2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
Names & synonyms
73243-09-12-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acidNSC344839DTXSID50319396NSC-3448393-[(4-Methoxyphenyl)methanesulfinyl]alanine
Database identifiers
- CAS
73243-09-1- PubChem CID
- 335442
- DTXSID
DTXSID50319396
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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