7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

C18H27N3O5 — CID 177409084

IUPAC7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1C(=O)NC(=O)N1/N=C/C(=O)C1CCCCC1
InChIInChI=1S/C18H27N3O5/c22-15(13-8-4-3-5-9-13)12-19-21-14(17(25)20-18(21)26)10-6-1-2-7-11-16(23)24/h12-14H,1-11H2,(H,23,24)(H,20,25,26)/b19-12+/t14-/m1/s1
InChIKeyXOVKWZIGMFIVIT-ONDHQXCVSA-N
MW365.43 g/mol
LogP2.47
Rot. Bonds10

About 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid (PubChem CID 177409084) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
PubChem CID177409084
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1C(=O)NC(=O)N1/N=C/C(=O)C1CCCCC1
InChIInChI=1S/C18H27N3O5/c22-15(13-8-4-3-5-9-13)12-19-21-14(17(25)20-18(21)26)10-6-1-2-7-11-16(23)24/h12-14H,1-11H2,(H,23,24)(H,20,25,26)/b19-12+/t14-/m1/s1
InChIKeyXOVKWZIGMFIVIT-ONDHQXCVSA-N
XLogP2.47
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-cyclohexyl-3-hydroxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]heptanoic acid
CID 88798462
7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788630
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704

Frequently Asked Questions

What is the IUPAC name of 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CID 177409084) is 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid is O=C(O)CCCCCC[C@@H]1C(=O)NC(=O)N1/N=C/C(=O)C1CCCCC1.
What is the InChIKey of 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The InChIKey is XOVKWZIGMFIVIT-ONDHQXCVSA-N. The full InChI is InChI=1S/C18H27N3O5/c22-15(13-8-4-3-5-9-13)12-19-21-14(17(25)20-18(21)26)10-6-1-2-7-11-16(23)24/h12-14H,1-11H2,(H,23,24)(H,20,25,26)/b19-12+/t14-/m1/s1.
What are the key properties of 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid has a molecular weight of 365.43 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4R)-3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 177409084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).