4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19N3O4 — CID 43341504

IUPAC4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O4/c1-2-8-3-5-13(6-4-8,11(18)19)16-10(17)9-7-14-12(20)15-9/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKeyIKQFYOJOBUQXCZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.86
Rot. Bonds4

About 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341504) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341504
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O4/c1-2-8-3-5-13(6-4-8,11(18)19)16-10(17)9-7-14-12(20)15-9/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKeyIKQFYOJOBUQXCZ-UHFFFAOYSA-N
XLogP0.86
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[(2,4-dioxo-1H-pyrimidin-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 17275063
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791141
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163109
4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341368
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377
4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341495
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341591
1-[2-(Carbamoylamino)propanoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 43360628
2-Cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 54902049
1-[[2-(Dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 60710241
4-Ethyl-1-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 60710242
1-[(2-Amino-2-oxoethyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 60710260

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341504) is 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IKQFYOJOBUQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-8-3-5-13(6-4-8,11(18)19)16-10(17)9-7-14-12(20)15-9/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20).
What are the key properties of 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).