2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid

C15H21NO4 — CID 43592998

IUPAC2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
SMILESCC1(C)CN(CCOc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C15H21NO4/c1-15(2)11-16(8-10-20-15)7-9-19-13-6-4-3-5-12(13)14(17)18/h3-6H,7-11H2,1-2H3,(H,17,18)
InChIKeyKTIYPWRCFJNNIS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid

2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid (PubChem CID 43592998) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
PubChem CID43592998
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
SMILESCC1(C)CN(CCOc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C15H21NO4/c1-15(2)11-16(8-10-20-15)7-9-19-13-6-4-3-5-12(13)14(17)18/h3-6H,7-11H2,1-2H3,(H,17,18)
InChIKeyKTIYPWRCFJNNIS-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592997
3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43593001
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
3-[3-(2,2-dimethylmorpholin-4-yl)propoxy]benzoic acid
CID 63068123
2-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 62927721
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
CID 43532506
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid (CID 43592998) is 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid is CC1(C)CN(CCOc2ccccc2C(=O)O)CCO1.
What is the InChIKey of 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
The InChIKey is KTIYPWRCFJNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)11-16(8-10-20-15)7-9-19-13-6-4-3-5-12(13)14(17)18/h3-6H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid is sourced from PubChem (CID 43592998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).