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

C11H17NO4 — CID 102657087

IUPAC2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1CC1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H17NO4/c1-7-3-8(7)10(15)12-5-11(2,6-12)16-4-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyQGPYCFTUXDIGMB-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.34
Rot. Bonds4

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

2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657087) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657087
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1CC1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H17NO4/c1-7-3-8(7)10(15)12-5-11(2,6-12)16-4-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyQGPYCFTUXDIGMB-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid (CID 102657087) is 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid is CC1CC1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is QGPYCFTUXDIGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-3-8(7)10(15)12-5-11(2,6-12)16-4-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).