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

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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).