3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid

C12H15N3O2 — CID 101410658

IUPAC3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1nc2ccccn2c1N
InChIInChI=1S/C12H15N3O2/c1-12(2,7-9(16)17)10-11(13)15-6-4-3-5-8(15)14-10/h3-6H,7,13H2,1-2H3,(H,16,17)
InChIKeyQCCBKKJXGRLQPY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds3

About 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid

3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid (PubChem CID 101410658) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid
PubChem CID101410658
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1nc2ccccn2c1N
InChIInChI=1S/C12H15N3O2/c1-12(2,7-9(16)17)10-11(13)15-6-4-3-5-8(15)14-10/h3-6H,7,13H2,1-2H3,(H,16,17)
InChIKeyQCCBKKJXGRLQPY-UHFFFAOYSA-N
XLogP1.67
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid?
The IUPAC name of 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid (CID 101410658) is 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid is CC(C)(CC(=O)O)c1nc2ccccn2c1N.
What is the InChIKey of 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid?
The InChIKey is QCCBKKJXGRLQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,7-9(16)17)10-11(13)15-6-4-3-5-8(15)14-10/h3-6H,7,13H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid?
3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoimidazo[1,2-a]pyridin-2-yl)-3-methylbutanoic acid is sourced from PubChem (CID 101410658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).