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

C7H13NO3S — CID 13059384

IUPACmethyl (2R)-2-acetamido-3-methylsulfanylpropanoate
SMILESCOC(=O)[C@H](CSC)NC(C)=O
InChIInChI=1S/C7H13NO3S/c1-5(9)8-6(4-12-3)7(10)11-2/h6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeyPVZMIVQODTYDBQ-LURJTMIESA-N
MW191.25 g/mol
LogP0.03
Rot. Bonds4

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

methyl (2R)-2-acetamido-3-methylsulfanylpropanoate (PubChem CID 13059384) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-methylsulfanylpropanoate
PubChem CID13059384
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Namemethyl (2R)-2-acetamido-3-methylsulfanylpropanoate
SMILESCOC(=O)[C@H](CSC)NC(C)=O
InChIInChI=1S/C7H13NO3S/c1-5(9)8-6(4-12-3)7(10)11-2/h6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeyPVZMIVQODTYDBQ-LURJTMIESA-N
XLogP0.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl 2-acetamido-3-propan-2-ylsulfanylpropanoate
CID 58759760
methyl 2-acetamido-3-[(2-acetamido-3-oxobutyl)disulfanyl]propanoate
CID 167040629
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl (2R)-2-acetamido-3-(2-chloroethylsulfanyl)propanoate
CID 23622931
methyl 2-acetamido-3-(3-hydroxybutan-2-ylsulfanyl)propanoate
CID 107770169
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
methyl (2R)-2-acetamido-3-(tert-butyldisulfanyl)propanoate
CID 176893883
methyl 2-acetamido-3-(2-methylbutylsulfanyl)propanoate
CID 107746375
methyl (2R)-2-[[[(2R)-2-acetamido-3-methoxy-3-oxopropyl]disulfanyl]methyl]-4-oxopentanoate
CID 157135893

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-methylsulfanylpropanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-methylsulfanylpropanoate (CID 13059384) is methyl (2R)-2-acetamido-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-methylsulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-methylsulfanylpropanoate is COC(=O)[C@H](CSC)NC(C)=O.
What is the InChIKey of methyl (2R)-2-acetamido-3-methylsulfanylpropanoate?
The InChIKey is PVZMIVQODTYDBQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3S/c1-5(9)8-6(4-12-3)7(10)11-2/h6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1.
What are the key properties of methyl (2R)-2-acetamido-3-methylsulfanylpropanoate?
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate has a molecular weight of 191.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3-methylsulfanylpropanoate is sourced from PubChem (CID 13059384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).