2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid

C9H11N3O3 — CID 61146796

IUPAC2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
SMILESO=CNC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C9H11N3O3/c13-5-11-9(2-1-3-9)8-10-4-6(12-8)7(14)15/h4-5H,1-3H2,(H,10,12)(H,11,13)(H,14,15)
InChIKeyUGBLKCIXKBNYFR-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.23
Rot. Bonds4

About 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid

2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid (PubChem CID 61146796) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
PubChem CID61146796
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
SMILESO=CNC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C9H11N3O3/c13-5-11-9(2-1-3-9)8-10-4-6(12-8)7(14)15/h4-5H,1-3H2,(H,10,12)(H,11,13)(H,14,15)
InChIKeyUGBLKCIXKBNYFR-UHFFFAOYSA-N
XLogP0.23
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid (CID 61146796) is 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid is O=CNC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is UGBLKCIXKBNYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-5-11-9(2-1-3-9)8-10-4-6(12-8)7(14)15/h4-5H,1-3H2,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 61146796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).