3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid

C19H22N2O4 — CID 123669247

IUPAC3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid
SMILESCCc1ccc(C(COc2ccc(CCC(=O)O)cc2)=NOC)nc1
InChIInChI=1S/C19H22N2O4/c1-3-14-6-10-17(20-12-14)18(21-24-2)13-25-16-8-4-15(5-9-16)7-11-19(22)23/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,22,23)
InChIKeyXJFOQWNRIHUMMA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.09
Rot. Bonds9

About 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid

3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid (PubChem CID 123669247) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid
PubChem CID123669247
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid
SMILESCCc1ccc(C(COc2ccc(CCC(=O)O)cc2)=NOC)nc1
InChIInChI=1S/C19H22N2O4/c1-3-14-6-10-17(20-12-14)18(21-24-2)13-25-16-8-4-15(5-9-16)7-11-19(22)23/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,22,23)
InChIKeyXJFOQWNRIHUMMA-UHFFFAOYSA-N
XLogP3.09
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(2Z)-2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 56835831
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methylamino]phenyl]propanoic acid
CID 56639921
deuterium monohydride;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;2-oxopropanoic acid
CID 161028195
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
3-[4-(2,3-dimethylbut-2-enoxy)phenyl]propanoic acid
CID 166628127
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
3-[2-cyano-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640209
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
(Z)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)-2-(hydroxymethylimino)ethoxy]phenyl]prop-2-enoic acid
CID 148572944
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid
CID 143338462
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid (CID 123669247) is 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid is CCc1ccc(C(COc2ccc(CCC(=O)O)cc2)=NOC)nc1.
What is the InChIKey of 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid?
The InChIKey is XJFOQWNRIHUMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-14-6-10-17(20-12-14)18(21-24-2)13-25-16-8-4-15(5-9-16)7-11-19(22)23/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid?
3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]propanoic acid is sourced from PubChem (CID 123669247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).