2-(2-oxoimidazolidin-1-yl)hexanoic acid

C9H16N2O3 — CID 43470464

IUPAC2-(2-oxoimidazolidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-7(8(12)13)11-6-5-10-9(11)14/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyFBSSOXFUPGLCEO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds5

About 2-(2-oxoimidazolidin-1-yl)hexanoic acid

2-(2-oxoimidazolidin-1-yl)hexanoic acid (PubChem CID 43470464) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)hexanoic acid
PubChem CID43470464
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(2-oxoimidazolidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-7(8(12)13)11-6-5-10-9(11)14/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyFBSSOXFUPGLCEO-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)hexanoic acid?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)hexanoic acid (CID 43470464) is 2-(2-oxoimidazolidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)hexanoic acid?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)hexanoic acid is CCCCC(C(=O)O)N1CCNC1=O.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)hexanoic acid?
The InChIKey is FBSSOXFUPGLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-4-7(8(12)13)11-6-5-10-9(11)14/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)hexanoic acid?
2-(2-oxoimidazolidin-1-yl)hexanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)hexanoic acid is sourced from PubChem (CID 43470464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).