3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid

C12H15N3O2 — CID 83841113

IUPAC3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1ccn2c(C(N)CC(=O)O)c(C)nc2c1
InChIInChI=1S/C12H15N3O2/c1-7-3-4-15-10(5-7)14-8(2)12(15)9(13)6-11(16)17/h3-5,9H,6,13H2,1-2H3,(H,16,17)
InChIKeyJJTVEKFNVFUQRW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid

3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid (PubChem CID 83841113) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
PubChem CID83841113
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1ccn2c(C(N)CC(=O)O)c(C)nc2c1
InChIInChI=1S/C12H15N3O2/c1-7-3-4-15-10(5-7)14-8(2)12(15)9(13)6-11(16)17/h3-5,9H,6,13H2,1-2H3,(H,16,17)
InChIKeyJJTVEKFNVFUQRW-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989744
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2,2,2-trifluoroethanamine
CID 82029238
cyclopropyl-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82029229
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]butanoic acid
CID 66137360
3-amino-3-(5-methylpyrazolo[1,5-a]pyridin-3-yl)propanoic acid
CID 83836931
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82032865
N'-acetyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 2814534
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2-diphenylacetamide
CID 16799381
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 134119925
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879887

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid (CID 83841113) is 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid is Cc1ccn2c(C(N)CC(=O)O)c(C)nc2c1.
What is the InChIKey of 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The InChIKey is JJTVEKFNVFUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-3-4-15-10(5-7)14-8(2)12(15)9(13)6-11(16)17/h3-5,9H,6,13H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 83841113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).