2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid

C11H13NO3S — CID 116680820

IUPAC2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H13NO3S/c1-7(11(14)15)8-5-12(6-8)10(13)9-3-2-4-16-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyQHEXUKYXCMIZRU-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.54
Rot. Bonds3

About 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116680820) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116680820
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H13NO3S/c1-7(11(14)15)8-5-12(6-8)10(13)9-3-2-4-16-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyQHEXUKYXCMIZRU-UHFFFAOYSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid (CID 116680820) is 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is QHEXUKYXCMIZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7(11(14)15)8-5-12(6-8)10(13)9-3-2-4-16-9/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116680820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).