methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate

C10H17NO5S — CID 79546798

IUPACmethyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCC1CC(C)=O
InChIInChI=1S/C10H17NO5S/c1-8(12)6-9-4-3-5-11(9)17(14,15)7-10(13)16-2/h9H,3-7H2,1-2H3
InChIKeyJMYBQWVOMOALEK-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.07
Rot. Bonds5

About methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate

methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate (PubChem CID 79546798) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
PubChem CID79546798
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Namemethyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCC1CC(C)=O
InChIInChI=1S/C10H17NO5S/c1-8(12)6-9-4-3-5-11(9)17(14,15)7-10(13)16-2/h9H,3-7H2,1-2H3
InChIKeyJMYBQWVOMOALEK-UHFFFAOYSA-N
XLogP-0.07
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(hydroxymethyl)azepan-1-yl]sulfonylacetate
CID 116636738
methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79547052
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546790
methyl 2-[1-(chloromethylsulfonyl)piperidin-2-yl]acetate
CID 63665399
1-[1-(3-methoxypropylsulfonyl)azepan-2-yl]propan-2-one
CID 79553608
methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
CID 174290633
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
CID 114815362
methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62274926
1-[1-(2-propan-2-yloxyethylsulfonyl)azepan-2-yl]propan-2-one
CID 79593615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate (CID 79546798) is methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CCCC1CC(C)=O.
What is the InChIKey of methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate?
The InChIKey is JMYBQWVOMOALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-8(12)6-9-4-3-5-11(9)17(14,15)7-10(13)16-2/h9H,3-7H2,1-2H3.
What are the key properties of methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate?
methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate has a molecular weight of 263.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate is sourced from PubChem (CID 79546798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).