2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

C10H11BrN2O4 — CID 43245234

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-6(10(16)17)12-8(14)5-13-4-7(11)2-3-9(13)15/h2-4,6H,5H2,1H3,(H,12,14)(H,16,17)
InChIKeyRQFUJXZSGJVYDW-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.20
Rot. Bonds4

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 43245234) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
PubChem CID43245234
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-6(10(16)17)12-8(14)5-13-4-7(11)2-3-9(13)15/h2-4,6H,5H2,1H3,(H,12,14)(H,16,17)
InChIKeyRQFUJXZSGJVYDW-UHFFFAOYSA-N
XLogP0.20
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]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 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (CID 43245234) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is CC(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is RQFUJXZSGJVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-6(10(16)17)12-8(14)5-13-4-7(11)2-3-9(13)15/h2-4,6H,5H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 303.11 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43245234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).