3-[hexyl(2-hydroxyethyl)amino]propanoic acid

C11H23NO3 — CID 82329561

IUPAC3-[hexyl(2-hydroxyethyl)amino]propanoic acid
SMILESCCCCCCN(CCO)CCC(=O)O
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-7-12(9-10-13)8-6-11(14)15/h13H,2-10H2,1H3,(H,14,15)
InChIKeyBEWGIGLDICIFDS-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds10

About 3-[hexyl(2-hydroxyethyl)amino]propanoic acid

3-[hexyl(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82329561) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[hexyl(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hexyl(2-hydroxyethyl)amino]propanoic acid
PubChem CID82329561
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[hexyl(2-hydroxyethyl)amino]propanoic acid
SMILESCCCCCCN(CCO)CCC(=O)O
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-7-12(9-10-13)8-6-11(14)15/h13H,2-10H2,1H3,(H,14,15)
InChIKeyBEWGIGLDICIFDS-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'}

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Related Compounds

hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
CID 150216454
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
6-[di(tridecyl)amino]hexanoic acid
CID 101314498

Frequently Asked Questions

What is the IUPAC name of 3-[hexyl(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[hexyl(2-hydroxyethyl)amino]propanoic acid (CID 82329561) is 3-[hexyl(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[hexyl(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[hexyl(2-hydroxyethyl)amino]propanoic acid is CCCCCCN(CCO)CCC(=O)O.
What is the InChIKey of 3-[hexyl(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is BEWGIGLDICIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-4-5-7-12(9-10-13)8-6-11(14)15/h13H,2-10H2,1H3,(H,14,15).
What are the key properties of 3-[hexyl(2-hydroxyethyl)amino]propanoic acid?
3-[hexyl(2-hydroxyethyl)amino]propanoic 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 3-[hexyl(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82329561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).