trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid

C7H12O4S — CID 99962548

IUPACtrans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)[C@@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H12O4S/c1-12(10,11)6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyFTMNQXBZXYNTNT-PHDIDXHHSA-N
MW192.24 g/mol
LogP0.28
Rot. Bonds2

About trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid

trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid (PubChem CID 99962548) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid
PubChem CID99962548
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Nametrans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)[C@@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H12O4S/c1-12(10,11)6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyFTMNQXBZXYNTNT-PHDIDXHHSA-N
XLogP0.28
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-3-ethylsulfonylcyclopentane-1-carboxylic acid
CID 99998180
cis-(1S,3R)-3-methylsulfonylcyclopentane-1-carbothioamide
CID 99997742
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
4-(4-methylcyclohexyl)sulfonylcyclohexane-1-carboxylic acid
CID 131877741
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550921
1-methyl-4-methylsulfonylpyrrolidine-2-carboxylic acid
CID 105460316
cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120675022
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-methyl-1-(3-methylsulfonylcyclohexyl)but-2-en-1-one
CID 103455460
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid (CID 99962548) is trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid is CS(=O)(=O)[C@@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid?
The InChIKey is FTMNQXBZXYNTNT-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(10,11)6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid has a molecular weight of 192.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 99962548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).