3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid

C11H16N2O2 — CID 75485649

IUPAC3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1nc2n(c1CCC(=O)O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-8-9(5-6-11(14)15)13-7-3-2-4-10(13)12-8/h2-7H2,1H3,(H,14,15)
InChIKeyYMBCDDAAHLWNFG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds3

About 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid

3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid (PubChem CID 75485649) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid
PubChem CID75485649
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1nc2n(c1CCC(=O)O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-8-9(5-6-11(14)15)13-7-3-2-4-10(13)12-8/h2-7H2,1H3,(H,14,15)
InChIKeyYMBCDDAAHLWNFG-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid (CID 75485649) is 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid is Cc1nc2n(c1CCC(=O)O)CCCC2.
What is the InChIKey of 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The InChIKey is YMBCDDAAHLWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-9(5-6-11(14)15)13-7-3-2-4-10(13)12-8/h2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid?
3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 75485649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).