9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid

C13H25NO5 — CID 154032087

IUPAC9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid
SMILESNCCOCCOC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C13H25NO5/c14-8-9-18-10-11-19-13(17)7-5-3-1-2-4-6-12(15)16/h1-11,14H2,(H,15,16)
InChIKeyJIYUTHYWMCKIOZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.32
Rot. Bonds13

About 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid

9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid (PubChem CID 154032087) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid.

Molecular Properties

Compound Name9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid
PubChem CID154032087
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid
SMILESNCCOCCOC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C13H25NO5/c14-8-9-18-10-11-19-13(17)7-5-3-1-2-4-6-12(15)16/h1-11,14H2,(H,15,16)
InChIKeyJIYUTHYWMCKIOZ-UHFFFAOYSA-N
XLogP1.32
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
CID 137483570
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid?
The IUPAC name of 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid (CID 154032087) is 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid.
What is the SMILES notation for 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid?
The canonical SMILES for 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid is NCCOCCOC(=O)CCCCCCCC(=O)O.
What is the InChIKey of 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid?
The InChIKey is JIYUTHYWMCKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c14-8-9-18-10-11-19-13(17)7-5-3-1-2-4-6-12(15)16/h1-11,14H2,(H,15,16).
What are the key properties of 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid?
9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid has a molecular weight of 275.34 g/mol, XLogP of 1.32, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid is sourced from PubChem (CID 154032087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).