2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid

C12H15N3O2 — CID 83841122

IUPAC2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCc1ccc2c(CC(N)C(=O)O)nc(C)n2c1
InChIInChI=1S/C12H15N3O2/c1-7-3-4-11-10(5-9(13)12(16)17)14-8(2)15(11)6-7/h3-4,6,9H,5,13H2,1-2H3,(H,16,17)
InChIKeyPLFOTHMWMUWXBO-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.91
Rot. Bonds3

About 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid

2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid (PubChem CID 83841122) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
PubChem CID83841122
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCc1ccc2c(CC(N)C(=O)O)nc(C)n2c1
InChIInChI=1S/C12H15N3O2/c1-7-3-4-11-10(5-9(13)12(16)17)14-8(2)15(11)6-7/h3-4,6,9H,5,13H2,1-2H3,(H,16,17)
InChIKeyPLFOTHMWMUWXBO-UHFFFAOYSA-N
XLogP0.91
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
CID 162691889
2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid
CID 82663207
(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
2-amino-3-(3-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 84684607
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-amino-3-(3-methylimidazo[1,5-a]pyridin-8-yl)propanoic acid
CID 83836982
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
2-(3-ethyl-6-methylimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83895206
(2S)-2-amino-3-[5-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 93478155
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
(2S)-2-amino-3-(6-methylbenzo[f][1,3]benzoxazol-2-yl)propanoic acid
CID 57178660
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid (CID 83841122) is 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid is Cc1ccc2c(CC(N)C(=O)O)nc(C)n2c1.
What is the InChIKey of 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The InChIKey is PLFOTHMWMUWXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-3-4-11-10(5-9(13)12(16)17)14-8(2)15(11)6-7/h3-4,6,9H,5,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,6-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 83841122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).