4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid

C13H19N3O3 — CID 70528649

IUPAC4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid
SMILESNC(=O)C1CCCC(c2cn(C(=O)O)cn2)CCC1
InChIInChI=1S/C13H19N3O3/c14-12(17)10-5-1-3-9(4-2-6-10)11-7-16(8-15-11)13(18)19/h7-10H,1-6H2,(H2,14,17)(H,18,19)
InChIKeyXXLNDKSMHURXPL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.95
Rot. Bonds2

About 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid

4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid (PubChem CID 70528649) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid
PubChem CID70528649
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid
SMILESNC(=O)C1CCCC(c2cn(C(=O)O)cn2)CCC1
InChIInChI=1S/C13H19N3O3/c14-12(17)10-5-1-3-9(4-2-6-10)11-7-16(8-15-11)13(18)19/h7-10H,1-6H2,(H2,14,17)(H,18,19)
InChIKeyXXLNDKSMHURXPL-UHFFFAOYSA-N
XLogP1.95
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid?
The IUPAC name of 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid (CID 70528649) is 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid.
What is the SMILES notation for 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid?
The canonical SMILES for 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid is NC(=O)C1CCCC(c2cn(C(=O)O)cn2)CCC1.
What is the InChIKey of 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid?
The InChIKey is XXLNDKSMHURXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-12(17)10-5-1-3-9(4-2-6-10)11-7-16(8-15-11)13(18)19/h7-10H,1-6H2,(H2,14,17)(H,18,19).
What are the key properties of 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid?
4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid is sourced from PubChem (CID 70528649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).