5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid

C10H13N3O3 — CID 71279309

IUPAC5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid
SMILESCc1nc(C(=O)N2CCC2)c(C(=O)O)n1C
InChIInChI=1S/C10H13N3O3/c1-6-11-7(8(10(15)16)12(6)2)9(14)13-4-3-5-13/h3-5H2,1-2H3,(H,15,16)
InChIKeyFMJCRJCLMZQDJG-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.27
Rot. Bonds2

About 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid

5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid (PubChem CID 71279309) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid
PubChem CID71279309
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid
SMILESCc1nc(C(=O)N2CCC2)c(C(=O)O)n1C
InChIInChI=1S/C10H13N3O3/c1-6-11-7(8(10(15)16)12(6)2)9(14)13-4-3-5-13/h3-5H2,1-2H3,(H,15,16)
InChIKeyFMJCRJCLMZQDJG-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid (CID 71279309) is 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid is Cc1nc(C(=O)N2CCC2)c(C(=O)O)n1C.
What is the InChIKey of 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid?
The InChIKey is FMJCRJCLMZQDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-11-7(8(10(15)16)12(6)2)9(14)13-4-3-5-13/h3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid?
5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 71279309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).