(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid

C19H30N2O5 — CID 12773649

IUPAC(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C(=O)NC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H30N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h1,6,14-16,22H,2-5,7-13H2,(H,23,24)(H,20,25,26)/b6-1+
InChIKeyGLAQTZKKWLZVLC-LZCJLJQNSA-N
MW366.46 g/mol
LogP2.44
Rot. Bonds10

About (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid

(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid (PubChem CID 12773649) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid
PubChem CID12773649
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C(=O)NC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H30N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h1,6,14-16,22H,2-5,7-13H2,(H,23,24)(H,20,25,26)/b6-1+
InChIKeyGLAQTZKKWLZVLC-LZCJLJQNSA-N
XLogP2.44
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.44
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'}, {'alert_name': 'isolated_alkene', '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-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788638
1-(3-cyclohexyl-3-hydroxypropyl)-5-[6-[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)oxy]hex-2-enyl]imidazolidine-2,4-dione
CID 70587503
7-[3-(3-cyclohexyl-3-hydroxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]heptanoic acid
CID 88798462
3-[3-[[3-(3-cyclopentyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]propanoic acid
CID 12788657
6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid
CID 11316009
7-[(1R,2R,3S,4S)-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54109481
(E)-7-[(1S,2R)-2-[(3R)-4-cyclohexyl-3-hydroxybutyl]-3,5-dioxocyclopentyl]hept-5-enoic acid
CID 166639908
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
CID 70475611
8-cyclodecyl-8-hydroxyoctanoic acid
CID 150565467
(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 90878993
7-[3-(2-cyclohexylsulfinylethyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 10452755

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid?
The IUPAC name of (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid (CID 12773649) is (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid.
What is the SMILES notation for (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid?
The canonical SMILES for (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid is O=C(O)CCC/C=C/CC1C(=O)NC(=O)N1CCC(O)C1CCCCC1.
What is the InChIKey of (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid?
The InChIKey is GLAQTZKKWLZVLC-LZCJLJQNSA-N. The full InChI is InChI=1S/C19H30N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h1,6,14-16,22H,2-5,7-13H2,(H,23,24)(H,20,25,26)/b6-1+.
What are the key properties of (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid?
(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid is sourced from PubChem (CID 12773649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).