1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid

C12H21NO4S — CID 122068407

IUPAC1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CCC2CCCC2)C1
InChIInChI=1S/C12H21NO4S/c14-12(15)11-5-7-13(9-11)18(16,17)8-6-10-3-1-2-4-10/h10-11H,1-9H2,(H,14,15)
InChIKeyVCJYALKSBCVODI-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.30
Rot. Bonds5

About 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid

1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid (PubChem CID 122068407) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
PubChem CID122068407
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CCC2CCCC2)C1
InChIInChI=1S/C12H21NO4S/c14-12(15)11-5-7-13(9-11)18(16,17)8-6-10-3-1-2-4-10/h10-11H,1-9H2,(H,14,15)
InChIKeyVCJYALKSBCVODI-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068595
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573
(3S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103662
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
1-[4-(trifluoromethyl)cyclohexyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068417
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid (CID 122068407) is 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)CCC2CCCC2)C1.
What is the InChIKey of 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VCJYALKSBCVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-12(15)11-5-7-13(9-11)18(16,17)8-6-10-3-1-2-4-10/h10-11H,1-9H2,(H,14,15).
What are the key properties of 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid?
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122068407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).