2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid

C14H17N3O3 — CID 81368196

IUPAC2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2nc(C(=O)NCC(C)(C)C(=O)O)cn12
InChIInChI=1S/C14H17N3O3/c1-9-5-4-6-11-16-10(7-17(9)11)12(18)15-8-14(2,3)13(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyPIJTXTYSGPLWIL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds4

About 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid (PubChem CID 81368196) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
PubChem CID81368196
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2nc(C(=O)NCC(C)(C)C(=O)O)cn12
InChIInChI=1S/C14H17N3O3/c1-9-5-4-6-11-16-10(7-17(9)11)12(18)15-8-14(2,3)13(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyPIJTXTYSGPLWIL-UHFFFAOYSA-N
XLogP1.48
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 103900041
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
N-(5-hydroxypentyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 107319165
6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid
CID 39186729
N-(1-hydroxy-3-methylpentan-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 103945561
1-[[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369818
N-[(1-hydroxycyclobutyl)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 115643362
N-(1,3-dihydroxypropan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 65314901
2-[[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 166178692
3-hydroxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]butanoic acid
CID 43353577
N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 43417880
3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 81077384

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid (CID 81368196) is 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid is Cc1cccc2nc(C(=O)NCC(C)(C)C(=O)O)cn12.
What is the InChIKey of 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is PIJTXTYSGPLWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-5-4-6-11-16-10(7-17(9)11)12(18)15-8-14(2,3)13(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81368196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).