3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid

C14H19NO4 — CID 117417024

IUPAC3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1OC1CN(C)C1
InChIInChI=1S/C14H19NO4/c1-15-8-11(9-15)19-13-7-10(4-6-14(16)17)3-5-12(13)18-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,16,17)
InChIKeyRJYJBYJPZCZVMH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.41
Rot. Bonds6

About 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid

3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid (PubChem CID 117417024) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
PubChem CID117417024
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1OC1CN(C)C1
InChIInChI=1S/C14H19NO4/c1-15-8-11(9-15)19-13-7-10(4-6-14(16)17)3-5-12(13)18-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,16,17)
InChIKeyRJYJBYJPZCZVMH-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117384188
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]-3-methylbutanoic acid
CID 117473397
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
3-amino-2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117450025

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid?
The IUPAC name of 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid (CID 117417024) is 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid is COc1ccc(CCC(=O)O)cc1OC1CN(C)C1.
What is the InChIKey of 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid?
The InChIKey is RJYJBYJPZCZVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-8-11(9-15)19-13-7-10(4-6-14(16)17)3-5-12(13)18-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid?
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid is sourced from PubChem (CID 117417024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).