2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid

C18H20N2O4 — CID 135094466

IUPAC2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccn2)cc1CN1CCOCC1
InChIInChI=1S/C18H20N2O4/c21-18(22)13-24-17-5-4-14(16-3-1-2-6-19-16)11-15(17)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12-13H2,(H,21,22)
InChIKeyGQABPZQOYBXPRD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.04
Rot. Bonds6

About 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid

2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid (PubChem CID 135094466) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid
PubChem CID135094466
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccn2)cc1CN1CCOCC1
InChIInChI=1S/C18H20N2O4/c21-18(22)13-24-17-5-4-14(16-3-1-2-6-19-16)11-15(17)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12-13H2,(H,21,22)
InChIKeyGQABPZQOYBXPRD-UHFFFAOYSA-N
XLogP2.04
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid
CID 138382571
2-[2-[[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-4-pyridin-2-ylphenoxy]acetic acid
CID 135107854
2-[4-(1-benzothiophen-3-yl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid
CID 118759264
2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid
CID 74242263
2-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-(2-methoxy-3-pyridinyl)phenoxy]acetamide
CID 171907810
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 124941248
2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
CID 135906345
2-[4-chloro-2-[[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]methyl]phenoxy]acetic acid
CID 69351894
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid?
The IUPAC name of 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid (CID 135094466) is 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid?
The canonical SMILES for 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid is O=C(O)COc1ccc(-c2ccccn2)cc1CN1CCOCC1.
What is the InChIKey of 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid?
The InChIKey is GQABPZQOYBXPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-18(22)13-24-17-5-4-14(16-3-1-2-6-19-16)11-15(17)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12-13H2,(H,21,22).
What are the key properties of 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid?
2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid is sourced from PubChem (CID 135094466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).