3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid

C11H16N2O2 — CID 83883905

IUPAC3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid
SMILESCc1cnc(CCC(=O)O)n1C1CCC1
InChIInChI=1S/C11H16N2O2/c1-8-7-12-10(5-6-11(14)15)13(8)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyUBOHRJQFIIUNFO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds4

About 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid

3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid (PubChem CID 83883905) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid
PubChem CID83883905
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid
SMILESCc1cnc(CCC(=O)O)n1C1CCC1
InChIInChI=1S/C11H16N2O2/c1-8-7-12-10(5-6-11(14)15)13(8)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyUBOHRJQFIIUNFO-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid (CID 83883905) is 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid is Cc1cnc(CCC(=O)O)n1C1CCC1.
What is the InChIKey of 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid?
The InChIKey is UBOHRJQFIIUNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-12-10(5-6-11(14)15)13(8)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid?
3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid is sourced from PubChem (CID 83883905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).