3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid

C13H14ClN3O3 — CID 82529336

IUPAC3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCc1nc2c(Cl)cccn2c1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H14ClN3O3/c1-8-11(13(20)16(2)7-5-10(18)19)17-6-3-4-9(14)12(17)15-8/h3-4,6H,5,7H2,1-2H3,(H,18,19)
InChIKeyHABJAJBGFHKKLB-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.84
Rot. Bonds4

About 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid

3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid (PubChem CID 82529336) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
PubChem CID82529336
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCc1nc2c(Cl)cccn2c1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H14ClN3O3/c1-8-11(13(20)16(2)7-5-10(18)19)17-6-3-4-9(14)12(17)15-8/h3-4,6H,5,7H2,1-2H3,(H,18,19)
InChIKeyHABJAJBGFHKKLB-UHFFFAOYSA-N
XLogP1.84
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 39186541
8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82529717
N,2,8-trimethyl-N-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 126470700
(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529517
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoic acid
CID 84567691
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82529112
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 154582050
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912

Frequently Asked Questions

What is the IUPAC name of 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid (CID 82529336) is 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid is Cc1nc2c(Cl)cccn2c1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
The InChIKey is HABJAJBGFHKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-8-11(13(20)16(2)7-5-10(18)19)17-6-3-4-9(14)12(17)15-8/h3-4,6H,5,7H2,1-2H3,(H,18,19).
What are the key properties of 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid has a molecular weight of 295.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 82529336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).