2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid

C13H19NO4 — CID 104552539

IUPAC2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
SMILESCC(CO)N(C)CCOc1ccccc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-10(9-15)14(2)7-8-18-12-6-4-3-5-11(12)13(16)17/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVWOOUSKCGXVONG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.08
Rot. Bonds7

About 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid

2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid (PubChem CID 104552539) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
PubChem CID104552539
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
SMILESCC(CO)N(C)CCOc1ccccc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-10(9-15)14(2)7-8-18-12-6-4-3-5-11(12)13(16)17/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVWOOUSKCGXVONG-UHFFFAOYSA-N
XLogP1.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-hydroxypropan-2-yl(methyl)amino]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

2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzenecarbothioamide
CID 104552086
2-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethoxy]benzoic acid
CID 115986159
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzoic acid
CID 63726897
2-[(4S)-4-methylhexoxy]benzoic acid
CID 67783867
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-pentoxybenzoic acid;hydrochloride
CID 70416265
2-[2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 103265786
2-(18-methylnonadecoxy)benzoic acid
CID 172718399
2-(8-methylnonoxy)benzoic acid
CID 22075682
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
CID 20985961

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid (CID 104552539) is 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid is CC(CO)N(C)CCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid?
The InChIKey is VWOOUSKCGXVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(9-15)14(2)7-8-18-12-6-4-3-5-11(12)13(16)17/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid?
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 104552539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).