methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate

C6H13NO2S — CID 45086744

IUPACmethyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
SMILESCOC(=O)[C@@](C)(N)CSC
InChIInChI=1S/C6H13NO2S/c1-6(7,4-10-3)5(8)9-2/h4,7H2,1-3H3/t6-/m0/s1
InChIKeyNEDPEFGKQWKCJW-LURJTMIESA-N
MW163.24 g/mol
LogP0.24
Rot. Bonds3

About methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate

methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate (PubChem CID 45086744) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
PubChem CID45086744
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Namemethyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
SMILESCOC(=O)[C@@](C)(N)CSC
InChIInChI=1S/C6H13NO2S/c1-6(7,4-10-3)5(8)9-2/h4,7H2,1-3H3/t6-/m0/s1
InChIKeyNEDPEFGKQWKCJW-LURJTMIESA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
CID 107755651
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
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methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;thionyl dichloride;hydrochloride
CID 159097335
methyl 2-amino-2-carbamoyl-4-methylsulfanylbutanoate
CID 57166150
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
3-O-tert-butyl 1-O-methyl (2S)-2-amino-2-(3,3-difluoroprop-2-enyl)propanedioate
CID 118278395
methyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756142

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate?
The IUPAC name of methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate (CID 45086744) is methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate is COC(=O)[C@@](C)(N)CSC.
What is the InChIKey of methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate?
The InChIKey is NEDPEFGKQWKCJW-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(7,4-10-3)5(8)9-2/h4,7H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate?
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate has a molecular weight of 163.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate is sourced from PubChem (CID 45086744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).