6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate

C10H17N2O3- — CID 25244917

IUPAC6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
SMILESCC1NC(=O)NC1CCCCCC(=O)[O-]
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1
InChIKeyAUTOLBMXDDTRRT-UHFFFAOYSA-M
MW213.26 g/mol
LogP-0.24
Rot. Bonds6

About 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate

6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate (PubChem CID 25244917) has the molecular formula C10H17N2O3- and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate.

Molecular Properties

Compound Name6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
PubChem CID25244917
Molecular FormulaC10H17N2O3-
Molecular Weight213.26 g/mol
Exact Mass213.12
IUPAC Name6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
SMILESCC1NC(=O)NC1CCCCCC(=O)[O-]
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1
InChIKeyAUTOLBMXDDTRRT-UHFFFAOYSA-M
XLogP-0.24
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
CID 73212702
CID 73212702
4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
CID 167640123
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 7344299
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 91759535
(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate
CID 162523429
[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 17308967

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
The IUPAC name of 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate (CID 25244917) is 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate.
What is the SMILES notation for 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
The canonical SMILES for 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate is CC1NC(=O)NC1CCCCCC(=O)[O-].
What is the InChIKey of 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
The InChIKey is AUTOLBMXDDTRRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1.
What are the key properties of 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate has a molecular weight of 213.26 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate is sourced from PubChem (CID 25244917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).