methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate

C10H19NO4S — CID 78958925

IUPACmethyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CSC
InChIInChI=1S/C10H19NO4S/c1-14-7-6-11(9(12)8-16-3)5-4-10(13)15-2/h4-8H2,1-3H3
InChIKeyOFPQFMCSJZPRRM-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.39
Rot. Bonds8

About methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate

methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate (PubChem CID 78958925) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
PubChem CID78958925
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CSC
InChIInChI=1S/C10H19NO4S/c1-14-7-6-11(9(12)8-16-3)5-4-10(13)15-2/h4-8H2,1-3H3
InChIKeyOFPQFMCSJZPRRM-UHFFFAOYSA-N
XLogP0.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
CID 115534206
methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959082
methyl 3-[2-cyanobutanoyl(2-methoxyethyl)amino]propanoate
CID 113330459
methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 78959559
methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959054
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate (CID 78958925) is methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CSC.
What is the InChIKey of methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate?
The InChIKey is OFPQFMCSJZPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-14-7-6-11(9(12)8-16-3)5-4-10(13)15-2/h4-8H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate?
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate has a molecular weight of 249.33 g/mol, XLogP of 0.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate is sourced from PubChem (CID 78958925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).