4-(2-oxoimidazolidin-1-yl)hexanoic acid

C9H16N2O3 — CID 70424247

IUPAC4-(2-oxoimidazolidin-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-7(3-4-8(12)13)11-6-5-10-9(11)14/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyJCQFVUBHIUGODK-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds5

About 4-(2-oxoimidazolidin-1-yl)hexanoic acid

4-(2-oxoimidazolidin-1-yl)hexanoic acid (PubChem CID 70424247) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(2-oxoimidazolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name4-(2-oxoimidazolidin-1-yl)hexanoic acid
PubChem CID70424247
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-(2-oxoimidazolidin-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-7(3-4-8(12)13)11-6-5-10-9(11)14/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyJCQFVUBHIUGODK-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 4-(2-oxoimidazolidin-1-yl)hexanoic acid?
The IUPAC name of 4-(2-oxoimidazolidin-1-yl)hexanoic acid (CID 70424247) is 4-(2-oxoimidazolidin-1-yl)hexanoic acid.
What is the SMILES notation for 4-(2-oxoimidazolidin-1-yl)hexanoic acid?
The canonical SMILES for 4-(2-oxoimidazolidin-1-yl)hexanoic acid is CCC(CCC(=O)O)N1CCNC1=O.
What is the InChIKey of 4-(2-oxoimidazolidin-1-yl)hexanoic acid?
The InChIKey is JCQFVUBHIUGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-7(3-4-8(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 4-(2-oxoimidazolidin-1-yl)hexanoic acid?
4-(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 4-(2-oxoimidazolidin-1-yl)hexanoic acid is sourced from PubChem (CID 70424247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).