methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate

C10H19NO3S — CID 20673314

IUPACmethyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO3S/c1-10(2,3)9(13)11-7(6-15-5)8(12)14-4/h7H,6H2,1-5H3,(H,11,13)
InChIKeyCOVLMYNOJZHYAF-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate

methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate (PubChem CID 20673314) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate
PubChem CID20673314
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO3S/c1-10(2,3)9(13)11-7(6-15-5)8(12)14-4/h7H,6H2,1-5H3,(H,11,13)
InChIKeyCOVLMYNOJZHYAF-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-formamido-4-(methylsulfanyl)butanoate
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Methyl 2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]acetate
CID 3128470
Dimethyl diacetyl cystinate
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L-Cystine,N'-diacetyl-, dimethyl ester
CID 282514
N-acetylmethioninate
CID 6991985
Methyl N-acetyl-S-(2-bromoethyl)-L-cysteinate
CID 23622876
S-Methyl-N-(2-methyl-2(methylthio)propionyl)-L-cysteine
CID 150683
S-methyl-N-acetyl-L-cysteine methylester
CID 13059384
l-Alanine, N-pivaloyl-, methyl ester
CID 531531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate?
The IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate (CID 20673314) is methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate?
The canonical SMILES for methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate is COC(=O)C(CSC)NC(=O)C(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate?
The InChIKey is COVLMYNOJZHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(2,3)9(13)11-7(6-15-5)8(12)14-4/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate?
methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate has a molecular weight of 233.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropanoylamino)-3-methylsulfanylpropanoate is sourced from PubChem (CID 20673314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).