3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid

C14H17N3O3 — CID 39175642

IUPAC3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
SMILESCc1cccn2cc(CC(=O)N(C)CCC(=O)O)nc12
InChIInChI=1S/C14H17N3O3/c1-10-4-3-6-17-9-11(15-14(10)17)8-12(18)16(2)7-5-13(19)20/h3-4,6,9H,5,7-8H2,1-2H3,(H,19,20)
InChIKeyMNKNZCAGEGRHRL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.12
Rot. Bonds5

About 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid

3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid (PubChem CID 39175642) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
PubChem CID39175642
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
SMILESCc1cccn2cc(CC(=O)N(C)CCC(=O)O)nc12
InChIInChI=1S/C14H17N3O3/c1-10-4-3-6-17-9-11(15-14(10)17)8-12(18)16(2)7-5-13(19)20/h3-4,6,9H,5,7-8H2,1-2H3,(H,19,20)
InChIKeyMNKNZCAGEGRHRL-UHFFFAOYSA-N
XLogP1.12
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86946474
3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362699
2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 107425499
N,N-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 70660652
methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate
CID 61031707
4-(methylamino)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882755
2-[tert-butyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 79269294
3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 39186541
2-[2-hydroxyethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]ethanol
CID 60686544
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
N'-hydroxy-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanimidamide
CID 83881906
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid (CID 39175642) is 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid is Cc1cccn2cc(CC(=O)N(C)CCC(=O)O)nc12.
What is the InChIKey of 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid?
The InChIKey is MNKNZCAGEGRHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-4-3-6-17-9-11(15-14(10)17)8-12(18)16(2)7-5-13(19)20/h3-4,6,9H,5,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 39175642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).