Basic information
- Standard SMILES
COc1ccc(CNC(CS)C(=O)O)cc1- InChIKey
DMNGECSBKZDBJE-UHFFFAOYSA-N- Molecular formula
- C11H15NO3S
- Average molar mass
- 241.31 g/mol
Names & identifiers
- Preferred name
- 3-Mercapto-2-(4-methoxy-benzylamino)-propionic acid
- IUPAC
- 2-[(4-methoxyphenyl)methylamino]-3-sulfanylpropanoic acid
Names & synonyms
CHEMBL1740653-Mercapto-2-(4-methoxy-benzylamino)-propionic acidSCHEMBL1760820DMNGECSBKZDBJE-UHFFFAOYSA-NBDBM501096013-mercapto-2-(4-methoxybenzylamino)-propionic acid
Database identifiers
- PubChem CID
- 11021047
- ChEMBL
CHEMBL174065- Nikkaji
- J1.709.239A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
5 records
Compound notes
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