2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid

C10H14N2O2 — CID 83847445

IUPAC2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
SMILESCn1c(C2CCC2)cnc1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-12-8(7-3-2-4-7)6-11-9(12)5-10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyVKHQUOXSNUZFBN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds3

About 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid

2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid (PubChem CID 83847445) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
PubChem CID83847445
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
SMILESCn1c(C2CCC2)cnc1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-12-8(7-3-2-4-7)6-11-9(12)5-10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyVKHQUOXSNUZFBN-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid?
The IUPAC name of 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid (CID 83847445) is 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid is Cn1c(C2CCC2)cnc1CC(=O)O.
What is the InChIKey of 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid?
The InChIKey is VKHQUOXSNUZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-8(7-3-2-4-7)6-11-9(12)5-10(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid?
2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid is sourced from PubChem (CID 83847445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).