tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate

C13H17N3O2 — CID 135396090

IUPACtert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cn2c(N)cccc2n1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)7-9-8-16-10(14)5-4-6-11(16)15-9/h4-6,8H,7,14H2,1-3H3
InChIKeySFWAPDOMWUJGQZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.80
Rot. Bonds2

About tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate

tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate (PubChem CID 135396090) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate
PubChem CID135396090
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cn2c(N)cccc2n1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)7-9-8-16-10(14)5-4-6-11(16)15-9/h4-6,8H,7,14H2,1-3H3
InChIKeySFWAPDOMWUJGQZ-UHFFFAOYSA-N
XLogP1.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate?
The IUPAC name of tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate (CID 135396090) is tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate is CC(C)(C)OC(=O)Cc1cn2c(N)cccc2n1.
What is the InChIKey of tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate?
The InChIKey is SFWAPDOMWUJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)7-9-8-16-10(14)5-4-6-11(16)15-9/h4-6,8H,7,14H2,1-3H3.
What are the key properties of tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate?
tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate has a molecular weight of 247.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate is sourced from PubChem (CID 135396090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).