7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

C13H22N2O5 — CID 12788630

IUPAC7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)NC(=O)N1CCCO
InChIInChI=1S/C13H22N2O5/c16-9-5-8-15-10(12(19)14-13(15)20)6-3-1-2-4-7-11(17)18/h10,16H,1-9H2,(H,17,18)(H,14,19,20)
InChIKeyNKYCZKRRSBNICR-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.71
Rot. Bonds10

About 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (PubChem CID 12788630) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
PubChem CID12788630
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)NC(=O)N1CCCO
InChIInChI=1S/C13H22N2O5/c16-9-5-8-15-10(12(19)14-13(15)20)6-3-1-2-4-7-11(17)18/h10,16H,1-9H2,(H,17,18)(H,14,19,20)
InChIKeyNKYCZKRRSBNICR-UHFFFAOYSA-N
XLogP0.71
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

7-[(4R)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 11451483
7-[3-(2-cyclohexylsulfinylethyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 10452755
7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788638
7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 10385247
7-[3-(3-hydroxy-4,4-dimethyl-5-phenylpentyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12773638
7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid
CID 59659393
7-[3-(3-cyclohexyl-3-hydroxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]heptanoic acid
CID 88798462
3-[3-[3-[3-(3-hydroxycyclohexyl)propyl]-2,5-dioxoimidazolidin-4-yl]propylsulfanyl]propanoic acid
CID 70611816
7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 177409084
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CID 12788630) is 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is O=C(O)CCCCCCC1C(=O)NC(=O)N1CCCO.
What is the InChIKey of 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The InChIKey is NKYCZKRRSBNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-9-5-8-15-10(12(19)14-13(15)20)6-3-1-2-4-7-11(17)18/h10,16H,1-9H2,(H,17,18)(H,14,19,20).
What are the key properties of 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 12788630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).