3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid

C11H19NO5S — CID 103550921

IUPAC3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H19NO5S/c1-12(5-6-18(2,16)17)10(13)8-3-4-9(7-8)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyXOYRYOWYMMGALT-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.01
Rot. Bonds5

About 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550921) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550921
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H19NO5S/c1-12(5-6-18(2,16)17)10(13)8-3-4-9(7-8)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyXOYRYOWYMMGALT-UHFFFAOYSA-N
XLogP-0.01
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550921) is 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid is CN(CCS(C)(=O)=O)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XOYRYOWYMMGALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-12(5-6-18(2,16)17)10(13)8-3-4-9(7-8)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).