3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid

C14H21NO5 — CID 20989136

IUPAC3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
SMILESCOCCN(CCOC)COc1cccc(C(=O)O)c1
InChIInChI=1S/C14H21NO5/c1-18-8-6-15(7-9-19-2)11-20-13-5-3-4-12(10-13)14(16)17/h3-5,10H,6-9,11H2,1-2H3,(H,16,17)
InChIKeyQAFDWCISXVPCMU-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.32
Rot. Bonds10

About 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid

3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid (PubChem CID 20989136) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
PubChem CID20989136
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
SMILESCOCCN(CCOC)COc1cccc(C(=O)O)c1
InChIInChI=1S/C14H21NO5/c1-18-8-6-15(7-9-19-2)11-20-13-5-3-4-12(10-13)14(16)17/h3-5,10H,6-9,11H2,1-2H3,(H,16,17)
InChIKeyQAFDWCISXVPCMU-UHFFFAOYSA-N
XLogP1.32
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[bis(2-methoxyethyl)amino]methoxy]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

3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[[bis(2-methylpropyl)amino]methoxy]benzoic acid
CID 22686852
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
3-[2-[bis(2-methylpropyl)amino]ethoxy]benzoic acid
CID 22682901
3-[3-(3-methoxypropylsulfanyl)propoxy]benzoic acid
CID 63857268
3-[(2S)-2-hydroxy-3-methoxypropoxy]benzoic acid
CID 93020031
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
3-[[butyl(methyl)amino]methoxy]benzoic acid
CID 22684745
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
3-[[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122028958
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
3-[3-[2-hydroxyethyl(methyl)amino]propoxy]benzoic acid
CID 20987555

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid?
The IUPAC name of 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid (CID 20989136) is 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid.
What is the SMILES notation for 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid?
The canonical SMILES for 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid is COCCN(CCOC)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid?
The InChIKey is QAFDWCISXVPCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-8-6-15(7-9-19-2)11-20-13-5-3-4-12(10-13)14(16)17/h3-5,10H,6-9,11H2,1-2H3,(H,16,17).
What are the key properties of 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid?
3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid has a molecular weight of 283.32 g/mol, XLogP of 1.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid is sourced from PubChem (CID 20989136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).