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

C11H13BrN2O5 — CID 43353782

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C11H13BrN2O5/c1-6(15)10(11(18)19)13-8(16)5-14-4-7(12)2-3-9(14)17/h2-4,6,10,15H,5H2,1H3,(H,13,16)(H,18,19)
InChIKeyOACBZHZKYINYLC-UHFFFAOYSA-N
MW333.14 g/mol
LogP-0.44
Rot. Bonds5

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 43353782) has the molecular formula C11H13BrN2O5 and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID43353782
Molecular FormulaC11H13BrN2O5
Molecular Weight333.14 g/mol
Exact Mass332.00
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C11H13BrN2O5/c1-6(15)10(11(18)19)13-8(16)5-14-4-7(12)2-3-9(14)17/h2-4,6,10,15H,5H2,1H3,(H,13,16)(H,18,19)
InChIKeyOACBZHZKYINYLC-UHFFFAOYSA-N
XLogP-0.44
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid (CID 43353782) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is OACBZHZKYINYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O5/c1-6(15)10(11(18)19)13-8(16)5-14-4-7(12)2-3-9(14)17/h2-4,6,10,15H,5H2,1H3,(H,13,16)(H,18,19).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 333.14 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43353782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).