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

C11H15N3O4 — CID 63042381

IUPAC3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-9(8-5-12-11(18)14-8)13-7-3-1-2-6(4-7)10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyLTIZOPBUNIHYDZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.08
Rot. Bonds3

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

3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63042381) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63042381
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-9(8-5-12-11(18)14-8)13-7-3-1-2-6(4-7)10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyLTIZOPBUNIHYDZ-UHFFFAOYSA-N
XLogP0.08
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525325
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147878
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809516
N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 64912798
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
3-[(3-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63802421

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63042381) is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LTIZOPBUNIHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(8-5-12-11(18)14-8)13-7-3-1-2-6(4-7)10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)(H2,12,14,18).
What are the key properties of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).