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

C20H34N2O5 — CID 12788638

IUPAC7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)NC(=O)N1CCC(O)C1CCCCCC1
InChIInChI=1S/C20H34N2O5/c23-17(15-9-5-1-2-6-10-15)13-14-22-16(19(26)21-20(22)27)11-7-3-4-8-12-18(24)25/h15-17,23H,1-14H2,(H,24,25)(H,21,26,27)
InChIKeyDSDQQHCFOGVHIG-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.05
Rot. Bonds11

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

7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (PubChem CID 12788638) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
PubChem CID12788638
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)NC(=O)N1CCC(O)C1CCCCCC1
InChIInChI=1S/C20H34N2O5/c23-17(15-9-5-1-2-6-10-15)13-14-22-16(19(26)21-20(22)27)11-7-3-4-8-12-18(24)25/h15-17,23H,1-14H2,(H,24,25)(H,21,26,27)
InChIKeyDSDQQHCFOGVHIG-UHFFFAOYSA-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'}

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Related Compounds

3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-4-imidazolidineheptanoic acid
CID 119304
(R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
CID 3080928
7-((4R)-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl)heptanoic acid
CID 11451483
(R-(R*,R*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-imidazolidine-4-heptanoic acid
CID 6603749
7-[(4S)-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-YL]heptanoic acid
CID 18632066
5-(6-Carboxyhexyl)-1-(3-cyclohexane-3-hydroxypropyl)-5-deoxyhydantoin
CID 126910
(S-(R*,R*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
CID 12788338
Ethyl 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoate
CID 12788653
(S-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
CID 40481312
Ethyl (R-(R*,S*))-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoate
CID 10386067
Ethyl (R-(R*,R*))-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoate
CID 44144781
Ethyl (S-(R*,S*))-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoate
CID 44145840

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CID 12788638) is 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is O=C(O)CCCCCCC1C(=O)NC(=O)N1CCC(O)C1CCCCCC1.
What is the InChIKey of 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
The InChIKey is DSDQQHCFOGVHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c23-17(15-9-5-1-2-6-10-15)13-14-22-16(19(26)21-20(22)27)11-7-3-4-8-12-18(24)25/h15-17,23H,1-14H2,(H,24,25)(H,21,26,27).
What are the key properties of 7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid?
7-[3-(3-cycloheptyl-3-hydroxypropyl)-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-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 12788638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).