2-cyclopentyl-5-methylsulfonylpentanoic acid

C11H20O4S — CID 112569238

IUPAC2-cyclopentyl-5-methylsulfonylpentanoic acid
SMILESCS(=O)(=O)CCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-16(14,15)8-4-7-10(11(12)13)9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyOGZCJQNDGWENEU-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.70
Rot. Bonds6

About 2-cyclopentyl-5-methylsulfonylpentanoic acid

2-cyclopentyl-5-methylsulfonylpentanoic acid (PubChem CID 112569238) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-cyclopentyl-5-methylsulfonylpentanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-5-methylsulfonylpentanoic acid
PubChem CID112569238
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name2-cyclopentyl-5-methylsulfonylpentanoic acid
SMILESCS(=O)(=O)CCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-16(14,15)8-4-7-10(11(12)13)9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyOGZCJQNDGWENEU-UHFFFAOYSA-N
XLogP1.70
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 99990825
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CID 22665117
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CID 102568246
2-cyclohexyldecanoic acid
CID 19004831
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclopentylhept-6-enoic acid
CID 112569181
2-cycloheptylbutanoic acid
CID 79007061
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
2,15-dicyclopropyl-16-methoxy-16-oxohexadecanoic acid
CID 66795678
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methylsulfonylpentanoic acid?
The IUPAC name of 2-cyclopentyl-5-methylsulfonylpentanoic acid (CID 112569238) is 2-cyclopentyl-5-methylsulfonylpentanoic acid.
What is the SMILES notation for 2-cyclopentyl-5-methylsulfonylpentanoic acid?
The canonical SMILES for 2-cyclopentyl-5-methylsulfonylpentanoic acid is CS(=O)(=O)CCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-methylsulfonylpentanoic acid?
The InChIKey is OGZCJQNDGWENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-16(14,15)8-4-7-10(11(12)13)9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-cyclopentyl-5-methylsulfonylpentanoic acid?
2-cyclopentyl-5-methylsulfonylpentanoic acid has a molecular weight of 248.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methylsulfonylpentanoic acid is sourced from PubChem (CID 112569238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).