3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid

C14H16Br2N4O4 — CID 141239433

IUPAC3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCc1c(Br)c(C)n2c(NCC(=O)NO)c(CCC(=O)O)nc2c1Br
InChIInChI=1S/C14H16Br2N4O4/c1-6-11(15)7(2)20-13(17-5-9(21)19-24)8(3-4-10(22)23)18-14(20)12(6)16/h17,24H,3-5H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyLXHVKNCZKDECSN-UHFFFAOYSA-N
MW464.11 g/mol
LogP2.41
Rot. Bonds6

About 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 141239433) has the molecular formula C14H16Br2N4O4 and a molecular weight of 464.11 g/mol. Its IUPAC name is 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID141239433
Molecular FormulaC14H16Br2N4O4
Molecular Weight464.11 g/mol
Exact Mass461.95
IUPAC Name3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCc1c(Br)c(C)n2c(NCC(=O)NO)c(CCC(=O)O)nc2c1Br
InChIInChI=1S/C14H16Br2N4O4/c1-6-11(15)7(2)20-13(17-5-9(21)19-24)8(3-4-10(22)23)18-14(20)12(6)16/h17,24H,3-5H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyLXHVKNCZKDECSN-UHFFFAOYSA-N
XLogP2.41
TPSA115.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.11
LogP ≤ 52.41
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'}

Analyze 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 141239433) is 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid is Cc1c(Br)c(C)n2c(NCC(=O)NO)c(CCC(=O)O)nc2c1Br.
What is the InChIKey of 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is LXHVKNCZKDECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N4O4/c1-6-11(15)7(2)20-13(17-5-9(21)19-24)8(3-4-10(22)23)18-14(20)12(6)16/h17,24H,3-5H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 464.11 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,8-dibromo-3-[[2-(hydroxyamino)-2-oxoethyl]amino]-5,7-dimethylimidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 141239433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).