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

C12H17N3O4 — CID 43341377

IUPAC4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)(C(=O)O)CC1
InChIInChI=1S/C12H17N3O4/c1-7-2-4-12(5-3-7,10(17)18)15-9(16)8-6-13-11(19)14-8/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyPGIFMDNBOOWPMU-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.47
Rot. Bonds3

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

4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341377) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341377
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)(C(=O)O)CC1
InChIInChI=1S/C12H17N3O4/c1-7-2-4-12(5-3-7,10(17)18)15-9(16)8-6-13-11(19)14-8/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyPGIFMDNBOOWPMU-UHFFFAOYSA-N
XLogP0.47
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341377) is 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PGIFMDNBOOWPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-2-4-12(5-3-7,10(17)18)15-9(16)8-6-13-11(19)14-8/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19).
What are the key properties of 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).