3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

C10H10FNO3S — CID 115731719

IUPAC3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cccs1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H10FNO3S/c11-10(9(14)15)3-4-12(6-10)8(13)7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyOYWCEFDXAPJTMA-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.39
Rot. Bonds2

About 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 115731719) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID115731719
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cccs1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H10FNO3S/c11-10(9(14)15)3-4-12(6-10)8(13)7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyOYWCEFDXAPJTMA-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258340
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
CID 134074079
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
3-fluoro-1-[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529772
3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259509

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 115731719) is 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(c1cccs1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OYWCEFDXAPJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c11-10(9(14)15)3-4-12(6-10)8(13)7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115731719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).