3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid

C13H15BrN4O4 — CID 141239233

IUPAC3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCc1c(Br)ccc2nc(CCC(=O)O)c(NCC(=O)NO)n12
InChIInChI=1S/C13H15BrN4O4/c1-7-8(14)2-4-10-16-9(3-5-12(20)21)13(18(7)10)15-6-11(19)17-22/h2,4,15,22H,3,5-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyVPCHCBKCSORVNA-UHFFFAOYSA-N
MW371.19 g/mol
LogP1.34
Rot. Bonds6

About 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 141239233) has the molecular formula C13H15BrN4O4 and a molecular weight of 371.19 g/mol. Its IUPAC name is 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID141239233
Molecular FormulaC13H15BrN4O4
Molecular Weight371.19 g/mol
Exact Mass370.03
IUPAC Name3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCc1c(Br)ccc2nc(CCC(=O)O)c(NCC(=O)NO)n12
InChIInChI=1S/C13H15BrN4O4/c1-7-8(14)2-4-10-16-9(3-5-12(20)21)13(18(7)10)15-6-11(19)17-22/h2,4,15,22H,3,5-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyVPCHCBKCSORVNA-UHFFFAOYSA-N
XLogP1.34
TPSA115.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-2-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
CID 141239208
3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 141239433
N-hydroxy-2-[(9-hydroxy-2-pentylimidazo[1,2-a]quinolin-1-yl)amino]acetamide
CID 141239385
2-[(2-butyl-5-propylimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
CID 141239377
2-[(2-butyl-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
CID 141239176
2-[[2-(2,2-dimethylpropyl)-5-propylimidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
CID 141239414
2-[(6-bromo-2-tert-butylimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
CID 141239404
2-[(6-bromo-5-methyl-3-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxypropanamide
CID 141240891
3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 11950379
2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
CID 141240784
2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
CID 141239241
N-hydroxy-2-[(5-methyl-3-pentylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 141240900

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 141239233) is 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid is Cc1c(Br)ccc2nc(CCC(=O)O)c(NCC(=O)NO)n12.
What is the InChIKey of 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is VPCHCBKCSORVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O4/c1-7-8(14)2-4-10-16-9(3-5-12(20)21)13(18(7)10)15-6-11(19)17-22/h2,4,15,22H,3,5-6H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 371.19 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5-methylimidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 141239233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).