2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid

C12H12N2O4 — CID 103973250

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)C(Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N2O4/c1-18-12(17)9(11(15)16)6-8-7-14-5-3-2-4-10(14)13-8/h2-5,7,9H,6H2,1H3,(H,15,16)
InChIKeyOGKSDGHNSDMHTF-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.75
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid

2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid (PubChem CID 103973250) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
PubChem CID103973250
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)C(Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N2O4/c1-18-12(17)9(11(15)16)6-8-7-14-5-3-2-4-10(14)13-8/h2-5,7,9H,6H2,1H3,(H,15,16)
InChIKeyOGKSDGHNSDMHTF-UHFFFAOYSA-N
XLogP0.75
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-imidazo[1,2-a]pyridin-2-yl-2-(2-methylphenyl)propanoic acid
CID 79432572
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
methyl 2-hydroxy-2-imidazo[1,2-a]pyridin-2-ylacetate
CID 70818317
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 78836243
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60687022
3-imidazo[1,2-a]pyridin-2-yl-2-methyl-1-phenylpropan-1-ol
CID 104846255
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid (CID 103973250) is 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid is COC(=O)C(Cc1cn2ccccc2n1)C(=O)O.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
The InChIKey is OGKSDGHNSDMHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-12(17)9(11(15)16)6-8-7-14-5-3-2-4-10(14)13-8/h2-5,7,9H,6H2,1H3,(H,15,16).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid is sourced from PubChem (CID 103973250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).