methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate

C11H21N3O5S — CID 115669280

IUPACmethyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C11H21N3O5S/c1-13(8-5-11(16)19-2)20(17,18)12-9-10(15)14-6-3-4-7-14/h12H,3-9H2,1-2H3
InChIKeyVEWFSAPFKHEYOC-UHFFFAOYSA-N
MW307.37 g/mol
LogP-1.06
Rot. Bonds7

About methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate

methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate (PubChem CID 115669280) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
PubChem CID115669280
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Namemethyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C11H21N3O5S/c1-13(8-5-11(16)19-2)20(17,18)12-9-10(15)14-6-3-4-7-14/h12H,3-9H2,1-2H3
InChIKeyVEWFSAPFKHEYOC-UHFFFAOYSA-N
XLogP-1.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-[(1,4-dimethylpiperidin-4-yl)methylsulfamoyl-methylamino]propanoate
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methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
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methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
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methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
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methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
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methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
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methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
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methyl 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl-methylamino]propanoate
CID 81039043

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate (CID 115669280) is methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCC(=O)N1CCCC1.
What is the InChIKey of methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate?
The InChIKey is VEWFSAPFKHEYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-13(8-5-11(16)19-2)20(17,18)12-9-10(15)14-6-3-4-7-14/h12H,3-9H2,1-2H3.
What are the key properties of methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate?
methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate has a molecular weight of 307.37 g/mol, XLogP of -1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate is sourced from PubChem (CID 115669280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).