2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid

C15H21NO3S — CID 116681485

IUPAC2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCCCc1cc(C(=O)N2CC(C(C)C(=O)O)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-5-11-6-13(20-10(11)3)14(17)16-7-12(8-16)9(2)15(18)19/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyZQEPJIHXPPSWOW-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681485) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681485
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCCCc1cc(C(=O)N2CC(C(C)C(=O)O)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-5-11-6-13(20-10(11)3)14(17)16-7-12(8-16)9(2)15(18)19/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyZQEPJIHXPPSWOW-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid (CID 116681485) is 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid is CCCc1cc(C(=O)N2CC(C(C)C(=O)O)C2)sc1C.
What is the InChIKey of 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is ZQEPJIHXPPSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-5-11-6-13(20-10(11)3)14(17)16-7-12(8-16)9(2)15(18)19/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 295.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).