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

C11H15N3O4 — CID 28791141

IUPAC1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-8(7-6-12-10(18)13-7)14-11(9(16)17)4-2-1-3-5-11/h6H,1-5H2,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyLIPKNISYLHNVMF-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.22
Rot. Bonds3

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

1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 28791141) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID28791141
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-8(7-6-12-10(18)13-7)14-11(9(16)17)4-2-1-3-5-11/h6H,1-5H2,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyLIPKNISYLHNVMF-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-Dioxo3h-pyrimidine-4-carbonyl)amino]cyclohexane-1-carboxylic
CID 24703433
8-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-8-oxooctanoic acid
CID 68654646
1-[(2-Methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69311881
1-[[2-(Prop-2-enoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 156867846
4-[[(2,4-dioxo-1H-pyrimidin-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 17275063
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28773374
6-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 28788693
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791111
7-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid
CID 28791175
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162947
1-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172477
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 28791141) is 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LIPKNISYLHNVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8(7-6-12-10(18)13-7)14-11(9(16)17)4-2-1-3-5-11/h6H,1-5H2,(H,14,15)(H,16,17)(H2,12,13,18).
What are the key properties of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 28791141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).