9-(2-hydroxyethylamino)-9-oxononanoic acid

C11H21NO4 — CID 57483082

IUPAC9-(2-hydroxyethylamino)-9-oxononanoic acid
SMILESO=C(O)CCCCCCCC(=O)NCCO
InChIInChI=1S/C11H21NO4/c13-9-8-12-10(14)6-4-2-1-3-5-7-11(15)16/h13H,1-9H2,(H,12,14)(H,15,16)
InChIKeyVEDNSEZGQMNNER-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.91
Rot. Bonds10

About 9-(2-hydroxyethylamino)-9-oxononanoic acid

9-(2-hydroxyethylamino)-9-oxononanoic acid (PubChem CID 57483082) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 9-(2-hydroxyethylamino)-9-oxononanoic acid.

Molecular Properties

Compound Name9-(2-hydroxyethylamino)-9-oxononanoic acid
PubChem CID57483082
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name9-(2-hydroxyethylamino)-9-oxononanoic acid
SMILESO=C(O)CCCCCCCC(=O)NCCO
InChIInChI=1S/C11H21NO4/c13-9-8-12-10(14)6-4-2-1-3-5-7-11(15)16/h13H,1-9H2,(H,12,14)(H,15,16)
InChIKeyVEDNSEZGQMNNER-UHFFFAOYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
dysprosium;N-(2-hydroxyethyl)-N'-sulfidododecanediamide
CID 155596071
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
8-(8-aminooctanoylamino)octanoic acid
CID 16654921

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethylamino)-9-oxononanoic acid?
The IUPAC name of 9-(2-hydroxyethylamino)-9-oxononanoic acid (CID 57483082) is 9-(2-hydroxyethylamino)-9-oxononanoic acid.
What is the SMILES notation for 9-(2-hydroxyethylamino)-9-oxononanoic acid?
The canonical SMILES for 9-(2-hydroxyethylamino)-9-oxononanoic acid is O=C(O)CCCCCCCC(=O)NCCO.
What is the InChIKey of 9-(2-hydroxyethylamino)-9-oxononanoic acid?
The InChIKey is VEDNSEZGQMNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c13-9-8-12-10(14)6-4-2-1-3-5-7-11(15)16/h13H,1-9H2,(H,12,14)(H,15,16).
What are the key properties of 9-(2-hydroxyethylamino)-9-oxononanoic acid?
9-(2-hydroxyethylamino)-9-oxononanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.91, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethylamino)-9-oxononanoic acid is sourced from PubChem (CID 57483082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).