[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid

C11H19N3O3 — CID 139369115

IUPAC[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid
SMILESCN1CCN(C2CCC(NC(=O)O)CC2)C1=O
InChIInChI=1S/C11H19N3O3/c1-13-6-7-14(11(13)17)9-4-2-8(3-5-9)12-10(15)16/h8-9,12H,2-7H2,1H3,(H,15,16)
InChIKeyLRVIMKIXQZFSRU-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds2

About [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid

[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid (PubChem CID 139369115) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid
PubChem CID139369115
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid
SMILESCN1CCN(C2CCC(NC(=O)O)CC2)C1=O
InChIInChI=1S/C11H19N3O3/c1-13-6-7-14(11(13)17)9-4-2-8(3-5-9)12-10(15)16/h8-9,12H,2-7H2,1H3,(H,15,16)
InChIKeyLRVIMKIXQZFSRU-UHFFFAOYSA-N
XLogP0.93
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminocyclopentyl)-3-methylimidazolidin-2-one
CID 83817265
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid
CID 155256227
(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
CID 142736972
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 84782289
tert-butyl (3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114841
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144899
N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide
CID 146101994
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]carbamic acid
CID 139369242
(4-iodocyclohexyl)carbamic acid
CID 68625935

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid (CID 139369115) is [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid is CN1CCN(C2CCC(NC(=O)O)CC2)C1=O.
What is the InChIKey of [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid?
The InChIKey is LRVIMKIXQZFSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13-6-7-14(11(13)17)9-4-2-8(3-5-9)12-10(15)16/h8-9,12H,2-7H2,1H3,(H,15,16).
What are the key properties of [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid?
[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 139369115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).