3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid

C11H13BrN2O4 — CID 43360977

IUPAC3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H13BrN2O4/c1-7(4-11(17)18)13-9(15)6-14-5-8(12)2-3-10(14)16/h2-3,5,7H,4,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyFEEUFJIGUHJWHB-UHFFFAOYSA-N
MW317.14 g/mol
LogP0.59
Rot. Bonds5

About 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid

3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid (PubChem CID 43360977) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
PubChem CID43360977
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H13BrN2O4/c1-7(4-11(17)18)13-9(15)6-14-5-8(12)2-3-10(14)16/h2-3,5,7H,4,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyFEEUFJIGUHJWHB-UHFFFAOYSA-N
XLogP0.59
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4,4,4-trifluorobutanoic acid
CID 121642741
(2S,3S)-2-[3-(5-bromo-2-oxo-1-pyridinyl)propanoylamino]-3-fluorobutanoic acid
CID 167989135
(S)-2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyric acid
CID 44604219
2-(3-Acetamido-2-oxo-1-pyridinyl)butanoic acid
CID 66696850
2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
CID 166086144
Methyl 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoate
CID 40213141
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43170232
4-Amino-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-oxobutanoic acid
CID 43171460
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 43245234
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
CID 43245237
2-[[2-(5-Bromo-2-oxopyridin-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43245241
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43353782

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid (CID 43360977) is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid?
The InChIKey is FEEUFJIGUHJWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-7(4-11(17)18)13-9(15)6-14-5-8(12)2-3-10(14)16/h2-3,5,7H,4,6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid?
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid has a molecular weight of 317.14 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43360977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).