methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate

C11H21NO7S — CID 115536179

IUPACmethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C11H21NO7S/c1-17-8-7-12(6-4-10(13)18-2)20(15,16)9-5-11(14)19-3/h4-9H2,1-3H3
InChIKeyHWSMPOMDGACASA-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.61
Rot. Bonds10

About methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate

methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate (PubChem CID 115536179) has the molecular formula C11H21NO7S and a molecular weight of 311.36 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
PubChem CID115536179
Molecular FormulaC11H21NO7S
Molecular Weight311.36 g/mol
Exact Mass311.10
IUPAC Namemethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C11H21NO7S/c1-17-8-7-12(6-4-10(13)18-2)20(15,16)9-5-11(14)19-3/h4-9H2,1-3H3
InChIKeyHWSMPOMDGACASA-UHFFFAOYSA-N
XLogP-0.61
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106609888
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714
methyl 3-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]propanoate
CID 54992634
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
CID 78959599
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533331
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533310
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate (CID 115536179) is methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate is COCCN(CCC(=O)OC)S(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
The InChIKey is HWSMPOMDGACASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO7S/c1-17-8-7-12(6-4-10(13)18-2)20(15,16)9-5-11(14)19-3/h4-9H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate has a molecular weight of 311.36 g/mol, XLogP of -0.61, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate is sourced from PubChem (CID 115536179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).