2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid

C13H19NO3S — CID 102660135

IUPAC2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid
SMILESCCC(c1cccs1)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H19NO3S/c1-3-10(11-5-4-6-18-11)14-8-13(2,9-14)17-7-12(15)16/h4-6,10H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyWWZZVGQCIQXFEL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102660135) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid
PubChem CID102660135
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid
SMILESCCC(c1cccs1)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H19NO3S/c1-3-10(11-5-4-6-18-11)14-8-13(2,9-14)17-7-12(15)16/h4-6,10H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyWWZZVGQCIQXFEL-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid (CID 102660135) is 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid is CCC(c1cccs1)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is WWZZVGQCIQXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-10(11-5-4-6-18-11)14-8-13(2,9-14)17-7-12(15)16/h4-6,10H,3,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 269.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102660135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).