3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid

C12H16N2O3 — CID 96594752

IUPAC3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid
SMILESCc1cc(=O)n2c(c1CCC(=O)O)N(C)CC2
InChIInChI=1S/C12H16N2O3/c1-8-7-10(15)14-6-5-13(2)12(14)9(8)3-4-11(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyRVUAKQHQNIZELH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.62
Rot. Bonds3

About 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid

3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid (PubChem CID 96594752) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid
PubChem CID96594752
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid
SMILESCc1cc(=O)n2c(c1CCC(=O)O)N(C)CC2
InChIInChI=1S/C12H16N2O3/c1-8-7-10(15)14-6-5-13(2)12(14)9(8)3-4-11(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyRVUAKQHQNIZELH-UHFFFAOYSA-N
XLogP0.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid?
The IUPAC name of 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid (CID 96594752) is 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid.
What is the SMILES notation for 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid?
The canonical SMILES for 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid is Cc1cc(=O)n2c(c1CCC(=O)O)N(C)CC2.
What is the InChIKey of 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid?
The InChIKey is RVUAKQHQNIZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-10(15)14-6-5-13(2)12(14)9(8)3-4-11(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid?
3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid is sourced from PubChem (CID 96594752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).