3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H19NO3S — CID 103550294

IUPAC3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC2c2cccs2)C1
InChIInChI=1S/C15H19NO3S/c17-14(10-5-6-11(9-10)15(18)19)16-7-1-3-12(16)13-4-2-8-20-13/h2,4,8,10-12H,1,3,5-7,9H2,(H,18,19)
InChIKeyXABXJULNHDABQR-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.91
Rot. Bonds3

About 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103550294) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103550294
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC2c2cccs2)C1
InChIInChI=1S/C15H19NO3S/c17-14(10-5-6-11(9-10)15(18)19)16-7-1-3-12(16)13-4-2-8-20-13/h2,4,8,10-12H,1,3,5-7,9H2,(H,18,19)
InChIKeyXABXJULNHDABQR-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 63031694
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134048550
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-chloro-2-phenyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 60953082

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103550294) is 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCCC2c2cccs2)C1.
What is the InChIKey of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is XABXJULNHDABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-14(10-5-6-11(9-10)15(18)19)16-7-1-3-12(16)13-4-2-8-20-13/h2,4,8,10-12H,1,3,5-7,9H2,(H,18,19).
What are the key properties of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).