3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid

C12H12N2O5 — CID 137005772

IUPAC3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCOC(=O)c1nc(CCC(=O)O)n2c(O)cccc12
InChIInChI=1S/C12H12N2O5/c1-19-12(18)11-7-3-2-4-9(15)14(7)8(13-11)5-6-10(16)17/h2-4,15H,5-6H2,1H3,(H,16,17)
InChIKeyRFXCWAFNMJNVQS-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.84
Rot. Bonds4

About 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 137005772) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID137005772
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCOC(=O)c1nc(CCC(=O)O)n2c(O)cccc12
InChIInChI=1S/C12H12N2O5/c1-19-12(18)11-7-3-2-4-9(15)14(7)8(13-11)5-6-10(16)17/h2-4,15H,5-6H2,1H3,(H,16,17)
InChIKeyRFXCWAFNMJNVQS-UHFFFAOYSA-N
XLogP0.84
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 137005772) is 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid is COC(=O)c1nc(CCC(=O)O)n2c(O)cccc12.
What is the InChIKey of 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is RFXCWAFNMJNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-19-12(18)11-7-3-2-4-9(15)14(7)8(13-11)5-6-10(16)17/h2-4,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 137005772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).