Penicillamine methyl ester
methyl (2R)-2-amino-3-methyl-3-sulfanylbutanoate
Also Known As: Penicillamine methyl ester|N-phenyl-2-pyrroline|L-penicillamine methyl ester|Methyl 3-sulfanylvalinate|methyl 3-sulfanyl-L-valinate|methyl (2R)-2-amino-3-methyl-3-sulfanylbutanoate|Valine, 3-mercapto-, methyl ester|L-Valine, 3-mercapto-,methyl ester|L-Valine, 3-mercapto-, methyl ester (9CI)|(R)-Methyl 2-amino-3-mercapto-3-methylbutanoate|Methyl (2R)-2-amino-3-mercapto-3-methylbutanoate
| Molecular Formula | C6H13NO2S |
|---|---|
| Molecular Weight | 163.0667 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.0667 |
| Monoisotopic Mass | 163.0667 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 29913-83-5 |
|---|---|
| SMILES | CC(C)([C@@H](C(=O)OC)N)S |
| InChIKey | FIXGPNLTDAUQQF-SCSAIBSYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penicillamine methyl ester (CAS 29913-83-5), with molecular formula C6H13NO2S and molecular weight 163.0667 g/mol. IUPAC: methyl (2R)-2-amino-3-methyl-3-sulfanylbutanoate.
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