3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

C13H14N2O4 — CID 117254518

IUPAC3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCOC(=O)c1nc(CCC(=O)O)n2ccc(C)cc12
InChIInChI=1S/C13H14N2O4/c1-8-5-6-15-9(7-8)12(13(18)19-2)14-10(15)3-4-11(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyLMNSKGOHAJPAEK-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.45
Rot. Bonds4

About 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 117254518) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID117254518
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCOC(=O)c1nc(CCC(=O)O)n2ccc(C)cc12
InChIInChI=1S/C13H14N2O4/c1-8-5-6-15-9(7-8)12(13(18)19-2)14-10(15)3-4-11(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyLMNSKGOHAJPAEK-UHFFFAOYSA-N
XLogP1.45
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 117254518) is 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is COC(=O)c1nc(CCC(=O)O)n2ccc(C)cc12.
What is the InChIKey of 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is LMNSKGOHAJPAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-5-6-15-9(7-8)12(13(18)19-2)14-10(15)3-4-11(16)17/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 117254518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).