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

C15H19N3O3 — CID 65220306

IUPAC2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-10(2)12(15(20)21)8-16-14(19)7-11-9-18-6-4-3-5-13(18)17-11/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyHVUMZEKFDVDWBH-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds6

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

2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65220306) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
PubChem CID65220306
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-10(2)12(15(20)21)8-16-14(19)7-11-9-18-6-4-3-5-13(18)17-11/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyHVUMZEKFDVDWBH-UHFFFAOYSA-N
XLogP1.35
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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]-3-methylbutanoic acid
CID 43353990
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 95246565
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]butanoic acid
CID 43469348
N-(2-amino-2-ethylbutyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119639792
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103843309
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103941094
4-(dimethylamino)-N-[(2S)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propyl]pentanamide
CID 166370812

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid (CID 65220306) is 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)Cc1cn2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is HVUMZEKFDVDWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)12(15(20)21)8-16-14(19)7-11-9-18-6-4-3-5-13(18)17-11/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid?
2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.35, 6 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]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65220306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).