7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

C20H34N2O5 — CID 10385247

IUPAC7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESC[C@@](O)(CCN1C(=O)NC(=O)[C@@H]1CCCCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C20H34N2O5/c1-20(27,15-9-5-4-6-10-15)13-14-22-16(18(25)21-19(22)26)11-7-2-3-8-12-17(23)24/h15-16,27H,2-14H2,1H3,(H,23,24)(H,21,25,26)/t16-,20+/m0/s1
InChIKeyGEBSYWVGUNXNJW-OXJNMPFZSA-N
MW382.50 g/mol
LogP3.05
Rot. Bonds11

About 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid (PubChem CID 10385247) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
PubChem CID10385247
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESC[C@@](O)(CCN1C(=O)NC(=O)[C@@H]1CCCCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C20H34N2O5/c1-20(27,15-9-5-4-6-10-15)13-14-22-16(18(25)21-19(22)26)11-7-2-3-8-12-17(23)24/h15-16,27H,2-14H2,1H3,(H,23,24)(H,21,25,26)/t16-,20+/m0/s1
InChIKeyGEBSYWVGUNXNJW-OXJNMPFZSA-N
XLogP3.05
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.05
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'}

Analyze 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid with MolForge

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Launch Full Analysis

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-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788630
7-[3-(3-hydroxy-4,4-dimethyl-5-phenylpentyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12773638
7-[3-(3-cyclohexyl-3-hydroxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]heptanoic acid
CID 88798462
7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 177409084
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
4-cyclopropyl-4-hydroxypentanoic acid
CID 66324061

Frequently Asked Questions

What is the IUPAC name of 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CID 10385247) is 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid is C[C@@](O)(CCN1C(=O)NC(=O)[C@@H]1CCCCCCC(=O)O)C1CCCCC1.
What is the InChIKey of 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The InChIKey is GEBSYWVGUNXNJW-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-20(27,15-9-5-4-6-10-15)13-14-22-16(18(25)21-19(22)26)11-7-2-3-8-12-17(23)24/h15-16,27H,2-14H2,1H3,(H,23,24)(H,21,25,26)/t16-,20+/m0/s1.
What are the key properties of 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid has a molecular weight of 382.50 g/mol, XLogP of 3.05, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxybutyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 10385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).