2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid

C14H21NO4 — CID 103266487

IUPAC2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
SMILESCC(C)OCCNCCOc1ccccc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-11(2)18-9-7-15-8-10-19-13-6-4-3-5-12(13)14(16)17/h3-6,11,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyGPAHPAXEZXXCJT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.78
Rot. Bonds9

About 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid

2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid (PubChem CID 103266487) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
PubChem CID103266487
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Name2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
SMILESCC(C)OCCNCCOc1ccccc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-11(2)18-9-7-15-8-10-19-13-6-4-3-5-12(13)14(16)17/h3-6,11,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyGPAHPAXEZXXCJT-UHFFFAOYSA-N
XLogP1.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239179
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103258003
2-[2-[[(1R)-1-pyridin-4-ylethyl]amino]ethoxy]benzoic acid
CID 103258943
2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
CID 103256335
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 106178113
2-[2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 103265786
2-[2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]benzoic acid
CID 103257832
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid (CID 103266487) is 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid is CC(C)OCCNCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid?
The InChIKey is GPAHPAXEZXXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11(2)18-9-7-15-8-10-19-13-6-4-3-5-12(13)14(16)17/h3-6,11,15H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid?
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 103266487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).