7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid

C18H32N2O4 — CID 12788656

IUPAC7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid
SMILESCCCCCCCCC1C(=O)NC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C18H32N2O4/c1-2-3-4-5-6-9-12-15-17(23)19-18(24)20(15)14-11-8-7-10-13-16(21)22/h15H,2-14H2,1H3,(H,21,22)(H,19,23,24)
InChIKeyNYJNESBEEDOJQB-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.69
Rot. Bonds14

About 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid

7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid (PubChem CID 12788656) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid
PubChem CID12788656
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid
SMILESCCCCCCCCC1C(=O)NC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C18H32N2O4/c1-2-3-4-5-6-9-12-15-17(23)19-18(24)20(15)14-11-8-7-10-13-16(21)22/h15H,2-14H2,1H3,(H,21,22)(H,19,23,24)
InChIKeyNYJNESBEEDOJQB-UHFFFAOYSA-N
XLogP3.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Desthiobiotin
CID 445027
dl-Desthiobiotin
CID 643
5-(5-Methyl-2-oxoimidazolidin-4-yl)pentanoic acid
CID 2837714
3-[2-(1-Carboxy-nonylamino)-propionyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 13456366
3-[2-(1-Carboxy-nonylamino)-butyryl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 13456399
3-[2-(1-Ethoxycarbonyl-nonylamino)-propionyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 13456353
(4S)-3-[(2R)-2-[[(1S)-1-carboxynonyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 13456368
6-(2-Oxo-5-pentylimidazolidin-4-yl)hexanoic acid
CID 2832720
Desthiobiotin, (-)-
CID 11966269
6-(5-Ethyl-2-oxoimidazolidin-4-yl)hexanoic acid
CID 21586237
Hydantoin stearate
CID 66931522
(2S)-1-[(2S)-2-[[(1S)-1-carboxynonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 129650858

Frequently Asked Questions

What is the IUPAC name of 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid?
The IUPAC name of 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid (CID 12788656) is 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid.
What is the SMILES notation for 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid?
The canonical SMILES for 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid is CCCCCCCCC1C(=O)NC(=O)N1CCCCCCC(=O)O.
What is the InChIKey of 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid?
The InChIKey is NYJNESBEEDOJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-2-3-4-5-6-9-12-15-17(23)19-18(24)20(15)14-11-8-7-10-13-16(21)22/h15H,2-14H2,1H3,(H,21,22)(H,19,23,24).
What are the key properties of 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid?
7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid has a molecular weight of 340.46 g/mol, XLogP of 3.69, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-octyl-2,4-dioxoimidazolidin-1-yl)heptanoic acid is sourced from PubChem (CID 12788656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).