3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate

C10H12N2O3 — CID 53398835

IUPAC3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate
SMILESO.O=C(O)CCc1cn2ccccc2n1
InChIInChI=1S/C10H10N2O2.H2O/c13-10(14)5-4-8-7-12-6-2-1-3-9(12)11-8;/h1-3,6-7H,4-5H2,(H,13,14);1H2
InChIKeyCFNCZIVEDRDMGF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds3

About 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate

3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate (PubChem CID 53398835) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate
PubChem CID53398835
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate
SMILESO.O=C(O)CCc1cn2ccccc2n1
InChIInChI=1S/C10H10N2O2.H2O/c13-10(14)5-4-8-7-12-6-2-1-3-9(12)11-8;/h1-3,6-7H,4-5H2,(H,13,14);1H2
InChIKeyCFNCZIVEDRDMGF-UHFFFAOYSA-N
XLogP0.53
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate (CID 53398835) is 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate is O.O=C(O)CCc1cn2ccccc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate?
The InChIKey is CFNCZIVEDRDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.H2O/c13-10(14)5-4-8-7-12-6-2-1-3-9(12)11-8;/h1-3,6-7H,4-5H2,(H,13,14);1H2.
What are the key properties of 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate?
3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate has a molecular weight of 208.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-ylpropanoic acid;hydrate is sourced from PubChem (CID 53398835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).