2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid

C11H19NO6S — CID 79609171

IUPAC2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19NO6S/c1-2-18-11(15)8-19(16,17)12-5-3-9(4-6-12)7-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYAJHVYQMSHQKSL-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.07
Rot. Bonds6

About 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid

2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid (PubChem CID 79609171) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
PubChem CID79609171
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19NO6S/c1-2-18-11(15)8-19(16,17)12-5-3-9(4-6-12)7-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYAJHVYQMSHQKSL-UHFFFAOYSA-N
XLogP0.07
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate
CID 114501652
2-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]acetic acid
CID 79608808
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
2-[1-(cyanomethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608157
2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
CID 79608513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid (CID 79609171) is 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid is CCOC(=O)CS(=O)(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid?
The InChIKey is YAJHVYQMSHQKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-18-11(15)8-19(16,17)12-5-3-9(4-6-12)7-10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid?
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 79609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).