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

C18H32N2O5 — CID 12773658

IUPAC7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESCCCCCC(O)CCN1C(=O)NC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C18H32N2O5/c1-2-3-6-9-14(21)12-13-20-15(17(24)19-18(20)25)10-7-4-5-8-11-16(22)23/h14-15,21H,2-13H2,1H3,(H,22,23)(H,19,24,25)
InChIKeyICXMXDCVHKIDJF-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.66
Rot. Bonds14

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

7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (PubChem CID 12773658) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
PubChem CID12773658
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESCCCCCC(O)CCN1C(=O)NC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C18H32N2O5/c1-2-3-6-9-14(21)12-13-20-15(17(24)19-18(20)25)10-7-4-5-8-11-16(22)23/h14-15,21H,2-13H2,1H3,(H,22,23)(H,19,24,25)
InChIKeyICXMXDCVHKIDJF-UHFFFAOYSA-N
XLogP2.66
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CID 12773658) is 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is CCCCCC(O)CCN1C(=O)NC(=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The InChIKey is ICXMXDCVHKIDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-2-3-6-9-14(21)12-13-20-15(17(24)19-18(20)25)10-7-4-5-8-11-16(22)23/h14-15,21H,2-13H2,1H3,(H,22,23)(H,19,24,25).
What are the key properties of 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid has a molecular weight of 356.46 g/mol, XLogP of 2.66, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-hydroxyoctyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 12773658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).