2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid

C12H13N3O3 — CID 43355303

IUPAC2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C12H13N3O3/c1-8(12(17)18)13-11(16)6-9-7-15-5-3-2-4-10(15)14-9/h2-5,7-8H,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyZBWIWSHWIGKQDR-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.47
Rot. Bonds4

About 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid

2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid (PubChem CID 43355303) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
PubChem CID43355303
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C12H13N3O3/c1-8(12(17)18)13-11(16)6-9-7-15-5-3-2-4-10(15)14-9/h2-5,7-8H,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyZBWIWSHWIGKQDR-UHFFFAOYSA-N
XLogP0.47
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
N-(1-hydroxybutan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 43417878
2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65220306
(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
CID 120693374
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103941094
(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 107833206
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
N-(1-aminohexan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119664981
2-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 35258416

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid (CID 43355303) is 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid is CC(NC(=O)Cc1cn2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
The InChIKey is ZBWIWSHWIGKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8(12(17)18)13-11(16)6-9-7-15-5-3-2-4-10(15)14-9/h2-5,7-8H,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 43355303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).