2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid

C11H15NO4 — CID 20985961

IUPAC2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
SMILESCN(CCO)COc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-12(6-7-13)8-16-10-5-3-2-4-9(10)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyHAAOTOAGIHTYRE-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.65
Rot. Bonds6

About 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid

2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid (PubChem CID 20985961) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
PubChem CID20985961
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
SMILESCN(CCO)COc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-12(6-7-13)8-16-10-5-3-2-4-9(10)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyHAAOTOAGIHTYRE-UHFFFAOYSA-N
XLogP0.65
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzoic acid
CID 63726897
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[[butyl(methyl)amino]methoxy]benzamide
CID 39255586
2-[[butyl(ethyl)amino]methoxy]benzoic acid
CID 22685507
2-ethoxybenzoic acid;zinc
CID 172723273
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
4-[2-[[ethoxymethyl(methyl)amino]methoxy]benzoyl]benzoic acid
CID 140772831
2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid
CID 63866226
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid (CID 20985961) is 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid is CN(CCO)COc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid?
The InChIKey is HAAOTOAGIHTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-12(6-7-13)8-16-10-5-3-2-4-9(10)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid?
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid is sourced from PubChem (CID 20985961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).