5-thiophen-2-ylpyrrolidine-2-carboxylic acid

C9H11NO2S — CID 55271321

IUPAC5-thiophen-2-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2cccs2)N1
InChIInChI=1S/C9H11NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)
InChIKeyNKDDEJDHDHYBFG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.63
Rot. Bonds2

About 5-thiophen-2-ylpyrrolidine-2-carboxylic acid

5-thiophen-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 55271321) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-thiophen-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-2-ylpyrrolidine-2-carboxylic acid
PubChem CID55271321
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-thiophen-2-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2cccs2)N1
InChIInChI=1S/C9H11NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)
InChIKeyNKDDEJDHDHYBFG-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 112693441
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
(2S,5S)-5-(3-iodothiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 130792384
2-methyl-6-thiophen-2-ylpiperidin-3-amine
CID 165483665
5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid
CID 112574782
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
CID 164650985
(4S,6S)-4-thiophen-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 135906751
(4R,6R)-4-thiophen-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 135906753
methyl 5-thiophen-2-ylthiomorpholine-3-carboxylate
CID 65171078
5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-thiophen-2-ylpyrrolidine-2-carboxylic acid (CID 55271321) is 5-thiophen-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-thiophen-2-ylpyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2cccs2)N1.
What is the InChIKey of 5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is NKDDEJDHDHYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12).
What are the key properties of 5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
5-thiophen-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55271321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).