Basic information
- CAS
640768-57-6- Standard SMILES
COC(=O)[C@@H](CS)NC(C)=O- InChIKey
QTKAQJWFVXPIFV-RXMQYKEDSA-N- Molecular formula
- C6H11NO3S
- Average molar mass
- 177.22 g/mol
- Monoisotopic mass
- 177.04596439
Names & identifiers
- Preferred name
- N-Acetyl-D-cysteine methyl ester
- IUPAC
- methyl (2S)-2-acetamido-3-sulfanylpropanoate
Names & synonyms
N-Acetyl-D-cysteine methyl ester640768-57-6RefChem:363087Methyl acetyl-D-cysteinateMethyl N-acetyl-D-cysteinateSCHEMBL10650156SCHEMBL14088106DTXSID001302417
Database identifiers
- CAS
640768-57-6- PubChem CID
- 736263
- DTXSID
DTXSID001302417- Nikkaji
- J1.673.801H
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
0 records
No reaction records under the current filter.
Compound notes
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