8-[2-hydroxyethyl(methyl)amino]octanoic acid

C11H23NO3 — CID 170273809

IUPAC8-[2-hydroxyethyl(methyl)amino]octanoic acid
SMILESCN(CCO)CCCCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-12(9-10-13)8-6-4-2-3-5-7-11(14)15/h13H,2-10H2,1H3,(H,14,15)
InChIKeyXHPZVGAYTRGYBG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds10

About 8-[2-hydroxyethyl(methyl)amino]octanoic acid

8-[2-hydroxyethyl(methyl)amino]octanoic acid (PubChem CID 170273809) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 8-[2-hydroxyethyl(methyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[2-hydroxyethyl(methyl)amino]octanoic acid
PubChem CID170273809
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name8-[2-hydroxyethyl(methyl)amino]octanoic acid
SMILESCN(CCO)CCCCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-12(9-10-13)8-6-4-2-3-5-7-11(14)15/h13H,2-10H2,1H3,(H,14,15)
InChIKeyXHPZVGAYTRGYBG-UHFFFAOYSA-N
XLogP1.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[2-hydroxyethyl(methyl)amino]octanoic 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

8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
N-methyl-N-propylhexan-1-amine;octadecanoic acid
CID 166652568
2-(dimethylamino)ethanol;octacosanoic acid
CID 71441848
12-[2-hydroxypropyl(methyl)amino]dodecanoic acid
CID 88635021
6-[2-ethoxyethyl(methyl)amino]hexanoic acid
CID 81057778
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
CID 155195867
CID 155195867
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxyethyl(methyl)amino]octanoic acid?
The IUPAC name of 8-[2-hydroxyethyl(methyl)amino]octanoic acid (CID 170273809) is 8-[2-hydroxyethyl(methyl)amino]octanoic acid.
What is the SMILES notation for 8-[2-hydroxyethyl(methyl)amino]octanoic acid?
The canonical SMILES for 8-[2-hydroxyethyl(methyl)amino]octanoic acid is CN(CCO)CCCCCCCC(=O)O.
What is the InChIKey of 8-[2-hydroxyethyl(methyl)amino]octanoic acid?
The InChIKey is XHPZVGAYTRGYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-12(9-10-13)8-6-4-2-3-5-7-11(14)15/h13H,2-10H2,1H3,(H,14,15).
What are the key properties of 8-[2-hydroxyethyl(methyl)amino]octanoic acid?
8-[2-hydroxyethyl(methyl)amino]octanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxyethyl(methyl)amino]octanoic acid is sourced from PubChem (CID 170273809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).