3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid

C13H15NO4 — CID 82770508

IUPAC3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid
SMILESO=C(O)CC(O)CN1CCC(=O)c2ccccc21
InChIInChI=1S/C13H15NO4/c15-9(7-13(17)18)8-14-6-5-12(16)10-3-1-2-4-11(10)14/h1-4,9,15H,5-8H2,(H,17,18)
InChIKeyBRVUZZSGIMUDDC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.92
Rot. Bonds4

About 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid

3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid (PubChem CID 82770508) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid
PubChem CID82770508
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid
SMILESO=C(O)CC(O)CN1CCC(=O)c2ccccc21
InChIInChI=1S/C13H15NO4/c15-9(7-13(17)18)8-14-6-5-12(16)10-3-1-2-4-11(10)14/h1-4,9,15H,5-8H2,(H,17,18)
InChIKeyBRVUZZSGIMUDDC-UHFFFAOYSA-N
XLogP0.92
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid (CID 82770508) is 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid is O=C(O)CC(O)CN1CCC(=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid?
The InChIKey is BRVUZZSGIMUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-9(7-13(17)18)8-14-6-5-12(16)10-3-1-2-4-11(10)14/h1-4,9,15H,5-8H2,(H,17,18).
What are the key properties of 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid?
3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid is sourced from PubChem (CID 82770508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).