methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate

C7H13NO4S — CID 174290633

IUPACmethyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC[C@H]1C
InChIInChI=1S/C7H13NO4S/c1-6-3-4-8(6)13(10,11)5-7(9)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyNRWDUBUGJDWXGY-ZCFIWIBFSA-N
MW207.25 g/mol
LogP-0.42
Rot. Bonds3

About methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate

methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate (PubChem CID 174290633) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
PubChem CID174290633
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Namemethyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC[C@H]1C
InChIInChI=1S/C7H13NO4S/c1-6-3-4-8(6)13(10,11)5-7(9)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyNRWDUBUGJDWXGY-ZCFIWIBFSA-N
XLogP-0.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
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methyl 2-[2-(hydroxymethyl)azepan-1-yl]sulfonylacetate
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methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
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methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79547052
methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
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methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62274926
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
methyl 3-[(2S)-2-methylpiperazin-1-yl]sulfonylpropanoate
CID 82755874
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
CID 63259471

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate (CID 174290633) is methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CC[C@H]1C.
What is the InChIKey of methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate?
The InChIKey is NRWDUBUGJDWXGY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-6-3-4-8(6)13(10,11)5-7(9)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate?
methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate has a molecular weight of 207.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate is sourced from PubChem (CID 174290633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).