2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid

C10H11BrN2O4 — CID 119187408

IUPAC2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-10(2,9(16)17)13-7(14)5-3-6(11)8(15)12-4-5/h3-4H,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyHFGAMJUSUZFZOB-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.73
Rot. Bonds3

About 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid

2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 119187408) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID119187408
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-10(2,9(16)17)13-7(14)5-3-6(11)8(15)12-4-5/h3-4H,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyHFGAMJUSUZFZOB-UHFFFAOYSA-N
XLogP0.73
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 119187408) is 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HFGAMJUSUZFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-10(2,9(16)17)13-7(14)5-3-6(11)8(15)12-4-5/h3-4H,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 303.11 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).