5-(2-docosoxyethylamino)pentanoic acid

C29H59NO3 — CID 155437408

IUPAC5-(2-docosoxyethylamino)pentanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCOCCNCCCCC(=O)O
InChIInChI=1S/C29H59NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-33-28-26-30-25-22-21-24-29(31)32/h30H,2-28H2,1H3,(H,31,32)
InChIKeyUOGLJXJYBWOKBM-UHFFFAOYSA-N
MW469.80 g/mol
LogP8.67
Rot. Bonds29

About 5-(2-docosoxyethylamino)pentanoic acid

5-(2-docosoxyethylamino)pentanoic acid (PubChem CID 155437408) has the molecular formula C29H59NO3 and a molecular weight of 469.80 g/mol. Its IUPAC name is 5-(2-docosoxyethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-docosoxyethylamino)pentanoic acid
PubChem CID155437408
Molecular FormulaC29H59NO3
Molecular Weight469.80 g/mol
Exact Mass469.45
IUPAC Name5-(2-docosoxyethylamino)pentanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCOCCNCCCCC(=O)O
InChIInChI=1S/C29H59NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-33-28-26-30-25-22-21-24-29(31)32/h30H,2-28H2,1H3,(H,31,32)
InChIKeyUOGLJXJYBWOKBM-UHFFFAOYSA-N
XLogP8.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 58.67
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

docosanoic acid;1-dodecoxydodecane;2-(2-hydroxyethylamino)ethanol
CID 88797062
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
15-pentoxypentadecanoic acid
CID 89280169
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046

Frequently Asked Questions

What is the IUPAC name of 5-(2-docosoxyethylamino)pentanoic acid?
The IUPAC name of 5-(2-docosoxyethylamino)pentanoic acid (CID 155437408) is 5-(2-docosoxyethylamino)pentanoic acid.
What is the SMILES notation for 5-(2-docosoxyethylamino)pentanoic acid?
The canonical SMILES for 5-(2-docosoxyethylamino)pentanoic acid is CCCCCCCCCCCCCCCCCCCCCCOCCNCCCCC(=O)O.
What is the InChIKey of 5-(2-docosoxyethylamino)pentanoic acid?
The InChIKey is UOGLJXJYBWOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-33-28-26-30-25-22-21-24-29(31)32/h30H,2-28H2,1H3,(H,31,32).
What are the key properties of 5-(2-docosoxyethylamino)pentanoic acid?
5-(2-docosoxyethylamino)pentanoic acid has a molecular weight of 469.80 g/mol, XLogP of 8.67, 29 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-docosoxyethylamino)pentanoic acid is sourced from PubChem (CID 155437408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).