1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid

C10H16O4S — CID 114993494

IUPAC1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)CSC1(C(=O)O)CCCC1
InChIInChI=1S/C10H16O4S/c1-2-14-8(11)7-15-10(9(12)13)5-3-4-6-10/h2-7H2,1H3,(H,12,13)
InChIKeyGFXSCJDRWNTBHG-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid

1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 114993494) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID114993494
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)CSC1(C(=O)O)CCCC1
InChIInChI=1S/C10H16O4S/c1-2-14-8(11)7-15-10(9(12)13)5-3-4-6-10/h2-7H2,1H3,(H,12,13)
InChIKeyGFXSCJDRWNTBHG-UHFFFAOYSA-N
XLogP1.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate
CID 176866632
ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate
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ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
CID 86061361
ethyl 2-(2-hydroxyethylsulfanyl)acetate
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ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
cyclohexane;ethyl 3-hydroxypropanoate
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8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
ethyl 2-bromosulfanylacetate
CID 12575404
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
CID 123554465
CID 123554465
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid (CID 114993494) is 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid is CCOC(=O)CSC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is GFXSCJDRWNTBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-2-14-8(11)7-15-10(9(12)13)5-3-4-6-10/h2-7H2,1H3,(H,12,13).
What are the key properties of 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid?
1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114993494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).