1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H17N3O4 — CID 174560371

IUPAC1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccn(C(=O)NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C12H17N3O4/c1-14-7-8-15(11(14)19)10(18)13-12(9(16)17)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyGUKLOAKJVQCMHZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.53
Rot. Bonds2

About 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 174560371) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID174560371
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccn(C(=O)NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C12H17N3O4/c1-14-7-8-15(11(14)19)10(18)13-12(9(16)17)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyGUKLOAKJVQCMHZ-UHFFFAOYSA-N
XLogP0.53
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 174560371) is 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1ccn(C(=O)NC2(C(=O)O)CCCCC2)c1=O.
What is the InChIKey of 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GUKLOAKJVQCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14-7-8-15(11(14)19)10(18)13-12(9(16)17)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-oxoimidazole-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174560371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).