1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid

C15H27NO5 — CID 174749758

IUPAC1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid
SMILESCCOCCN1C=CC=CC1.COCCOCCC(=O)O
InChIInChI=1S/C9H15NO.C6H12O4/c1-2-11-9-8-10-6-4-3-5-7-10;1-9-4-5-10-3-2-6(7)8/h3-6H,2,7-9H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyUZPSJKAFWGQCLM-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.53
Rot. Bonds10

About 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid

1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid (PubChem CID 174749758) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid
PubChem CID174749758
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid
SMILESCCOCCN1C=CC=CC1.COCCOCCC(=O)O
InChIInChI=1S/C9H15NO.C6H12O4/c1-2-11-9-8-10-6-4-3-5-7-10;1-9-4-5-10-3-2-6(7)8/h3-6H,2,7-9H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyUZPSJKAFWGQCLM-UHFFFAOYSA-N
XLogP1.53
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid
CID 174749773
1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174750047
1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174749863
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate
CID 151943150
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868
[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645477
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
CID 160861388

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid?
The IUPAC name of 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid (CID 174749758) is 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid is CCOCCN1C=CC=CC1.COCCOCCC(=O)O.
What is the InChIKey of 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid?
The InChIKey is UZPSJKAFWGQCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C6H12O4/c1-2-11-9-8-10-6-4-3-5-7-10;1-9-4-5-10-3-2-6(7)8/h3-6H,2,7-9H2,1H3;2-5H2,1H3,(H,7,8).
What are the key properties of 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid?
1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid has a molecular weight of 301.38 g/mol, XLogP of 1.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid is sourced from PubChem (CID 174749758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).