2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

C11H18N2O5S — CID 103342291

IUPAC2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H18N2O5S/c12-10(14)8-4-2-6-13(8)19(17,18)9-5-1-3-7(9)11(15)16/h7-9H,1-6H2,(H2,12,14)(H,15,16)
InChIKeyCDYXBXBAUHZSTE-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.48
Rot. Bonds4

About 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103342291) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103342291
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H18N2O5S/c12-10(14)8-4-2-6-13(8)19(17,18)9-5-1-3-7(9)11(15)16/h7-9H,1-6H2,(H2,12,14)(H,15,16)
InChIKeyCDYXBXBAUHZSTE-UHFFFAOYSA-N
XLogP-0.48
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)sulfonyl]cyclopentane-1-carboxylic acid
CID 103343577
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342623
(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
CID 59831561
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
CID 166222586
1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 79589293

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103342291) is 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is NC(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is CDYXBXBAUHZSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c12-10(14)8-4-2-6-13(8)19(17,18)9-5-1-3-7(9)11(15)16/h7-9H,1-6H2,(H2,12,14)(H,15,16).
What are the key properties of 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).