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

C10H11BrN2O4 — CID 119208771

IUPAC2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C10H11BrN2O4/c1-5(10(16)17)13(2)9(15)6-3-7(11)8(14)12-4-6/h3-5H,1-2H3,(H,12,14)(H,16,17)
InChIKeyGJCYNOGVABNDSV-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.68
Rot. Bonds3

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

2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid (PubChem CID 119208771) 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)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
PubChem CID119208771
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C10H11BrN2O4/c1-5(10(16)17)13(2)9(15)6-3-7(11)8(14)12-4-6/h3-5H,1-2H3,(H,12,14)(H,16,17)
InChIKeyGJCYNOGVABNDSV-UHFFFAOYSA-N
XLogP0.68
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 124688962
(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 103790965
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62626705
2-[(3-bromo-5-fluorobenzoyl)-methylamino]propanoic acid
CID 55096580
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
2-[[3-bromo-4-(dimethylsulfamoyl)benzoyl]-methylamino]propanoic acid
CID 119209286
5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 96510260
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 62627256
5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 120654785
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 119656479
2-[(3-bromo-5-propan-2-yloxybenzoyl)-methylamino]propanoic acid
CID 119209283
2-[(4-acetylbenzoyl)-methylamino]propanoic acid
CID 119208794

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid (CID 119208771) is 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid?
The InChIKey is GJCYNOGVABNDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-5(10(16)17)13(2)9(15)6-3-7(11)8(14)12-4-6/h3-5H,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid?
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid has a molecular weight of 303.11 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 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)-methylamino]propanoic acid is sourced from PubChem (CID 119208771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).