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

C13H15BrN2O4 — CID 43360527

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)Cn1cc(Br)ccc1=O)(C(=O)O)C1CC1
InChIInChI=1S/C13H15BrN2O4/c1-13(12(19)20,8-2-3-8)15-10(17)7-16-6-9(14)4-5-11(16)18/h4-6,8H,2-3,7H2,1H3,(H,15,17)(H,19,20)
InChIKeyNADHGFBMOUYRCK-UHFFFAOYSA-N
MW343.18 g/mol
LogP0.98
Rot. Bonds5

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid (PubChem CID 43360527) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid
PubChem CID43360527
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)Cn1cc(Br)ccc1=O)(C(=O)O)C1CC1
InChIInChI=1S/C13H15BrN2O4/c1-13(12(19)20,8-2-3-8)15-10(17)7-16-6-9(14)4-5-11(16)18/h4-6,8H,2-3,7H2,1H3,(H,15,17)(H,19,20)
InChIKeyNADHGFBMOUYRCK-UHFFFAOYSA-N
XLogP0.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic 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]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid (CID 43360527) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid is CC(NC(=O)Cn1cc(Br)ccc1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid?
The InChIKey is NADHGFBMOUYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c1-13(12(19)20,8-2-3-8)15-10(17)7-16-6-9(14)4-5-11(16)18/h4-6,8H,2-3,7H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid has a molecular weight of 343.18 g/mol, XLogP of 0.98, 5 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]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43360527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).