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

C13H15BrN2O4 — CID 119203160

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)Cn1cc(Br)ccc1=O)C1CC1
InChIInChI=1S/C13H15BrN2O4/c1-8(13(19)20)16(10-3-4-10)12(18)7-15-6-9(14)2-5-11(15)17/h2,5-6,8,10H,3-4,7H2,1H3,(H,19,20)
InChIKeyUXNGCQZYTWSONP-UHFFFAOYSA-N
MW343.18 g/mol
LogP1.07
Rot. Bonds5

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 119203160) 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]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
PubChem CID119203160
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)Cn1cc(Br)ccc1=O)C1CC1
InChIInChI=1S/C13H15BrN2O4/c1-8(13(19)20)16(10-3-4-10)12(18)7-15-6-9(14)2-5-11(15)17/h2,5-6,8,10H,3-4,7H2,1H3,(H,19,20)
InChIKeyUXNGCQZYTWSONP-UHFFFAOYSA-N
XLogP1.07
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid (CID 119203160) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)Cn1cc(Br)ccc1=O)C1CC1.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is UXNGCQZYTWSONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c1-8(13(19)20)16(10-3-4-10)12(18)7-15-6-9(14)2-5-11(15)17/h2,5-6,8,10H,3-4,7H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 343.18 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 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]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119203160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).