2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid

C14H20N2O4 — CID 70816687

IUPAC2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid
SMILESCOCCC1COCCN1c1nccc(C)c1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-3-5-15-13(12(10)14(17)18)16-6-8-20-9-11(16)4-7-19-2/h3,5,11H,4,6-9H2,1-2H3,(H,17,18)
InChIKeyHOSRNVUCEGYVBU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.33
Rot. Bonds5

About 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid

2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid (PubChem CID 70816687) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid
PubChem CID70816687
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid
SMILESCOCCC1COCCN1c1nccc(C)c1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-3-5-15-13(12(10)14(17)18)16-6-8-20-9-11(16)4-7-19-2/h3,5,11H,4,6-9H2,1-2H3,(H,17,18)
InChIKeyHOSRNVUCEGYVBU-UHFFFAOYSA-N
XLogP1.33
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid (CID 70816687) is 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid is COCCC1COCCN1c1nccc(C)c1C(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is HOSRNVUCEGYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-3-5-15-13(12(10)14(17)18)16-6-8-20-9-11(16)4-7-19-2/h3,5,11H,4,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid?
2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)morpholin-4-yl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 70816687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).