3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

C15H21NO2S — CID 63639561

IUPAC3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCCC1C1CCCC1
InChIInChI=1S/C15H21NO2S/c17-15(18)14-12(7-9-19-14)10-16-8-3-6-13(16)11-4-1-2-5-11/h7,9,11,13H,1-6,8,10H2,(H,17,18)
InChIKeyKNIAEDRTCQUZIG-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.60
Rot. Bonds4

About 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63639561) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63639561
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCCC1C1CCCC1
InChIInChI=1S/C15H21NO2S/c17-15(18)14-12(7-9-19-14)10-16-8-3-6-13(16)11-4-1-2-5-11/h7,9,11,13H,1-6,8,10H2,(H,17,18)
InChIKeyKNIAEDRTCQUZIG-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639879
3-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
CID 103196650
3-[(2-ethylazepan-1-yl)methyl]thiophene-2-carboxylic acid
CID 113441793
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carboxylic acid
CID 115560430
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
CID 43628352
3-[2-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76927644
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-6-aminobenzoic acid
CID 104824402
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methylthiophene-2-carboxylic acid
CID 80730721
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
methyl 3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
CID 97054784
3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641091

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (CID 63639561) is 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CN1CCCC1C1CCCC1.
What is the InChIKey of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is KNIAEDRTCQUZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-15(18)14-12(7-9-19-14)10-16-8-3-6-13(16)11-4-1-2-5-11/h7,9,11,13H,1-6,8,10H2,(H,17,18).
What are the key properties of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 279.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63639561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).