2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid

C14H17N3O3 — CID 39186456

IUPAC2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1ccn2c(C(=O)NC(C)(C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C14H17N3O3/c1-8-5-6-17-10(7-8)15-9(2)11(17)12(18)16-14(3,4)13(19)20/h5-7H,1-4H3,(H,16,18)(H,19,20)
InChIKeySXJFYHMISPONNH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.54
Rot. Bonds3

About 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid

2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 39186456) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID39186456
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1ccn2c(C(=O)NC(C)(C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C14H17N3O3/c1-8-5-6-17-10(7-8)15-9(2)11(17)12(18)16-14(3,4)13(19)20/h5-7H,1-4H3,(H,16,18)(H,19,20)
InChIKeySXJFYHMISPONNH-UHFFFAOYSA-N
XLogP1.54
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 39186456) is 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid is Cc1ccn2c(C(=O)NC(C)(C)C(=O)O)c(C)nc2c1.
What is the InChIKey of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is SXJFYHMISPONNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-6-17-10(7-8)15-9(2)11(17)12(18)16-14(3,4)13(19)20/h5-7H,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 39186456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).