2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid

C14H19NO4 — CID 129161460

IUPAC2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid
SMILESCCOC(C(=O)O)c1cccc(N2CC(OC)C2)c1
InChIInChI=1S/C14H19NO4/c1-3-19-13(14(16)17)10-5-4-6-11(7-10)15-8-12(9-15)18-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,16,17)
InChIKeySZJRZNCGXVRVCK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds6

About 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid

2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid (PubChem CID 129161460) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid
PubChem CID129161460
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid
SMILESCCOC(C(=O)O)c1cccc(N2CC(OC)C2)c1
InChIInChI=1S/C14H19NO4/c1-3-19-13(14(16)17)10-5-4-6-11(7-10)15-8-12(9-15)18-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,16,17)
InChIKeySZJRZNCGXVRVCK-UHFFFAOYSA-N
XLogP1.68
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid (CID 129161460) is 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid is CCOC(C(=O)O)c1cccc(N2CC(OC)C2)c1.
What is the InChIKey of 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid?
The InChIKey is SZJRZNCGXVRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-13(14(16)17)10-5-4-6-11(7-10)15-8-12(9-15)18-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid?
2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 129161460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).