2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride

C13H18ClNO4 — CID 46736007

IUPAC2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
SMILESCl.O=C(O)COc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H17NO4.ClH/c15-13(16)10-18-12-3-1-11(2-4-12)9-14-5-7-17-8-6-14;/h1-4H,5-10H2,(H,15,16);1H
InChIKeyKEOXEKQGWPASMY-UHFFFAOYSA-N
MW287.74 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride

2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride (PubChem CID 46736007) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
PubChem CID46736007
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
SMILESCl.O=C(O)COc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H17NO4.ClH/c15-13(16)10-18-12-3-1-11(2-4-12)9-14-5-7-17-8-6-14;/h1-4H,5-10H2,(H,15,16);1H
InChIKeyKEOXEKQGWPASMY-UHFFFAOYSA-N
XLogP1.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
CID 132948171
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
2-[4-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 74233182
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
2-[4-[[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 99941147
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518315
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3511248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride (CID 46736007) is 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride is Cl.O=C(O)COc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride?
The InChIKey is KEOXEKQGWPASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4.ClH/c15-13(16)10-18-12-3-1-11(2-4-12)9-14-5-7-17-8-6-14;/h1-4H,5-10H2,(H,15,16);1H.
What are the key properties of 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride?
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride is sourced from PubChem (CID 46736007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).