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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Related Compounds

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6-(azepane-1-carbonyl)-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
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azetidin-1-yl-(5-methylpyrimidin-2-yl)methanone
CID 153064839
(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
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(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
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1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645026
(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 844633
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone
CID 69316914
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981

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).