Basic information
- Standard SMILES
COC(=O)C(CS)NC(C)=O- InChIKey
QTKAQJWFVXPIFV-UHFFFAOYSA-N- Molecular formula
- C6H11NO3S
- Average molar mass
- 177.22 g/mol
Overview
N-acetylcysteine methyl ester is a member of acetamides, a methyl ester and an alpha-amino acid ester.
Names & identifiers
- Preferred name
- Methyl 2-acetamido-3-sulfanylpropanoate
- IUPAC
- methyl 2-acetamido-3-sulfanylpropanoate
Names & synonyms
methyl 2-acetamido-3-sulfanylpropanoate118398-49-5n-acetylcysteine methyl estermethyl (2R)-2-(acetylamino)-3-sulfanylpropanoateSCHEMBL112331SCHEMBL8626445CHEBI:233605QTKAQJWFVXPIFV-UHFFFAOYSA-NSBB058095AKOS006228073methyl2-acetamido-3-sulfanylpropanoatemethyl 2-acetamido-3-sulfanyl-propanoate
Show more names
PD195951ST51012393EN300-2972352-acetylamino-3-mercapto-propionic acid methyl ester
Database identifiers
- PubChem CID
- 3613404
- ChEBI
CHEBI:233605- Nikkaji
- J1.031.171C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Related reactions
5 records
Compound notes
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