4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 116979825

IUPAC4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CN(C2CCC(C(=O)O)CC2)C(=O)N1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)11-8-16(13(19)15-11)10-6-4-9(5-7-10)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXJLXGHVUZAPORC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds2

About 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 116979825) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID116979825
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CN(C2CCC(C(=O)O)CC2)C(=O)N1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)11-8-16(13(19)15-11)10-6-4-9(5-7-10)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXJLXGHVUZAPORC-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979822
(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727694
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727879
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 129388955
4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid
CID 175969544
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
1-cyclopentyl-2-oxoimidazolidine-4-carboxylic acid
CID 83699474
(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
CID 99646275
(4aS,7S)-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazine-7-carboxylic acid
CID 129388992
2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 84782289
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287
cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
CID 114173319

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (CID 116979825) is 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is CC(C)(C)C1CN(C2CCC(C(=O)O)CC2)C(=O)N1.
What is the InChIKey of 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XJLXGHVUZAPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)11-8-16(13(19)15-11)10-6-4-9(5-7-10)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116979825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).