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

C14H23NO4 — CID 102657291

IUPAC2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2C(C)(C)C2(C)C)C1
InChIInChI=1S/C14H23NO4/c1-12(2)10(13(12,3)4)11(18)15-7-14(5,8-15)19-6-9(16)17/h10H,6-8H2,1-5H3,(H,16,17)
InChIKeyTWNVMRWSSOJAHO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.37
Rot. Bonds4

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

2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657291) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657291
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2C(C)(C)C2(C)C)C1
InChIInChI=1S/C14H23NO4/c1-12(2)10(13(12,3)4)11(18)15-7-14(5,8-15)19-6-9(16)17/h10H,6-8H2,1-5H3,(H,16,17)
InChIKeyTWNVMRWSSOJAHO-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.37
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-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid (CID 102657291) is 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C2C(C)(C)C2(C)C)C1.
What is the InChIKey of 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is TWNVMRWSSOJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-12(2)10(13(12,3)4)11(18)15-7-14(5,8-15)19-6-9(16)17/h10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.37, 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-(2,2,3,3-tetramethylcyclopropanecarbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).