2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid

C14H17N3O3 — CID 43353990

IUPAC2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-9(2)13(14(19)20)16-12(18)7-10-8-17-6-4-3-5-11(17)15-10/h3-6,8-9,13H,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyADWFQJSZIAXWFS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.10
Rot. Bonds5

About 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid

2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid (PubChem CID 43353990) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
PubChem CID43353990
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-9(2)13(14(19)20)16-12(18)7-10-8-17-6-4-3-5-11(17)15-10/h3-6,8-9,13H,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyADWFQJSZIAXWFS-UHFFFAOYSA-N
XLogP1.10
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43353673
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65220306
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55518882
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
CID 120693374
N-(1-hydroxybutan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 43417878
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103941094
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 107833206
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid (CID 43353990) is 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)Cc1cn2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid?
The InChIKey is ADWFQJSZIAXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)13(14(19)20)16-12(18)7-10-8-17-6-4-3-5-11(17)15-10/h3-6,8-9,13H,7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid?
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.10, 5 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]-3-methylbutanoic acid is sourced from PubChem (CID 43353990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).