2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid

C15H21NO5 — CID 102933390

IUPAC2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
SMILESCC1CN(CCOc2ccccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C15H21NO5/c1-11-8-16(9-12(10-17)21-11)6-7-20-14-5-3-2-4-13(14)15(18)19/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)
InChIKeyZZYGHWFCNQUNLD-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid

2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid (PubChem CID 102933390) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
PubChem CID102933390
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
SMILESCC1CN(CCOc2ccccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C15H21NO5/c1-11-8-16(9-12(10-17)21-11)6-7-20-14-5-3-2-4-13(14)15(18)19/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)
InChIKeyZZYGHWFCNQUNLD-UHFFFAOYSA-N
XLogP0.85
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzoic acid
CID 113498440
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932079
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid (CID 102933390) is 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid is CC1CN(CCOc2ccccc2C(=O)O)CC(CO)O1.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid?
The InChIKey is ZZYGHWFCNQUNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11-8-16(9-12(10-17)21-11)6-7-20-14-5-3-2-4-13(14)15(18)19/h2-5,11-12,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid?
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid has a molecular weight of 295.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid is sourced from PubChem (CID 102933390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).