5-(azetidin-1-yl)thiophene-2-carboxylic acid

C8H9NO2S — CID 130547578

IUPAC5-(azetidin-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC2)s1
InChIInChI=1S/C8H9NO2S/c10-8(11)6-2-3-7(12-6)9-4-1-5-9/h2-3H,1,4-5H2,(H,10,11)
InChIKeyUDSVNWRKDGHELV-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.66
Rot. Bonds2

About 5-(azetidin-1-yl)thiophene-2-carboxylic acid

5-(azetidin-1-yl)thiophene-2-carboxylic acid (PubChem CID 130547578) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(azetidin-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(azetidin-1-yl)thiophene-2-carboxylic acid
PubChem CID130547578
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-(azetidin-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC2)s1
InChIInChI=1S/C8H9NO2S/c10-8(11)6-2-3-7(12-6)9-4-1-5-9/h2-3H,1,4-5H2,(H,10,11)
InChIKeyUDSVNWRKDGHELV-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(azetidin-1-yl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 10703720
2-hydroxy-4-oxo-4-(5-piperidin-1-ylthiophen-2-yl)but-2-enoic acid
CID 75020431
5-(3-methoxyazetidin-1-yl)thiophene-2-carboxylic acid
CID 130547588
ethyl 5-piperidin-1-ylthiophene-2-carboxylate
CID 69360756
1-[5-[4-(2-sulfanylidene-1H-pyridin-4-yl)-1,4-diazepan-1-yl]thiophen-2-yl]ethanone
CID 150652086
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone
CID 1481764
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
(E)-2-cyano-3-(5-piperidin-1-ylthiophen-2-yl)prop-2-enoic acid
CID 43170000
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-[2-(5-carboxythiophen-2-yl)propan-2-yl]thiophene-2-carboxylic acid
CID 6611542
5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
CID 83095887

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(azetidin-1-yl)thiophene-2-carboxylic acid (CID 130547578) is 5-(azetidin-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(azetidin-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(azetidin-1-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(N2CCC2)s1.
What is the InChIKey of 5-(azetidin-1-yl)thiophene-2-carboxylic acid?
The InChIKey is UDSVNWRKDGHELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)6-2-3-7(12-6)9-4-1-5-9/h2-3H,1,4-5H2,(H,10,11).
What are the key properties of 5-(azetidin-1-yl)thiophene-2-carboxylic acid?
5-(azetidin-1-yl)thiophene-2-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 130547578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).