4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 116979822

IUPAC4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CN(C2CCC(C(=O)O)CC2)C(=O)N1
InChIInChI=1S/C12H20N2O3/c1-2-9-7-14(12(17)13-9)10-5-3-8(4-6-10)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyJWFVVQKQBHKUOU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds3

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

4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 116979822) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID116979822
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CN(C2CCC(C(=O)O)CC2)C(=O)N1
InChIInChI=1S/C12H20N2O3/c1-2-9-7-14(12(17)13-9)10-5-3-8(4-6-10)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyJWFVVQKQBHKUOU-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
CID 116979754
4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979825
4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile
CID 145134659
4-ethyl-1-piperidin-3-ylimidazolidin-2-one
CID 116979000
4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
(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
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
1-cyclopentyl-2-oxoimidazolidine-4-carboxylic acid
CID 83699474
1-(azetidin-3-yl)-4-propylimidazolidin-2-one
CID 116978882

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (CID 116979822) is 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is CCC1CN(C2CCC(C(=O)O)CC2)C(=O)N1.
What is the InChIKey of 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is JWFVVQKQBHKUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-9-7-14(12(17)13-9)10-5-3-8(4-6-10)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).