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

C11H15N3O4 — CID 60808388

IUPAC4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-9(8-5-12-11(18)14-8)13-7-3-1-6(2-4-7)10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyYWRZGWJLAQWUJR-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.08
Rot. Bonds3

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

4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808388) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808388
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-9(8-5-12-11(18)14-8)13-7-3-1-6(2-4-7)10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyYWRZGWJLAQWUJR-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-[[(2,4-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-Oxo-1,3-dihydroimidazole-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 43211227
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377
2-Cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 54902049
4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808060
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808066
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809516
4-[[2-Oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60809867
4-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810355
3-[1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 61705353
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042381

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808388) is 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YWRZGWJLAQWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(8-5-12-11(18)14-8)13-7-3-1-6(2-4-7)10(16)17/h5-7H,1-4H2,(H,13,15)(H,16,17)(H2,12,14,18).
What are the key properties of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(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 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).