4-oxo-4-pyridin-4-yloxybutanoic acid

C9H9NO4 — CID 150022305

IUPAC4-oxo-4-pyridin-4-yloxybutanoic acid
SMILESO=C(O)CCC(=O)Oc1ccncc1
InChIInChI=1S/C9H9NO4/c11-8(12)1-2-9(13)14-7-3-5-10-6-4-7/h3-6H,1-2H2,(H,11,12)
InChIKeyDFMQHWMEQQHIRF-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.85
Rot. Bonds4

About 4-oxo-4-pyridin-4-yloxybutanoic acid

4-oxo-4-pyridin-4-yloxybutanoic acid (PubChem CID 150022305) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-oxo-4-pyridin-4-yloxybutanoic acid.

Molecular Properties

Compound Name4-oxo-4-pyridin-4-yloxybutanoic acid
PubChem CID150022305
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4-oxo-4-pyridin-4-yloxybutanoic acid
SMILESO=C(O)CCC(=O)Oc1ccncc1
InChIInChI=1S/C9H9NO4/c11-8(12)1-2-9(13)14-7-3-5-10-6-4-7/h3-6H,1-2H2,(H,11,12)
InChIKeyDFMQHWMEQQHIRF-UHFFFAOYSA-N
XLogP0.85
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl 4-amino-4-sulfanylidenebutanoate
CID 175056642
4-(3-carboxypropanoyloxy)benzoic acid
CID 71361124
4-(4-formylphenoxy)-4-oxobutanoic acid
CID 71362683
4-(4-carbamoylphenoxy)-4-oxobutanoic acid
CID 141195001
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
52-oxo-52-phenoxydopentacontanoic acid
CID 139682709
44-oxo-44-phenoxytetratetracontanoic acid
CID 139683012
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
4-(3-bromophenoxy)-4-oxobutanoic acid
CID 82123982
3-(2-carboxyethyldisulfanyl)propanoic acid;phenyl 3-[(3-oxo-3-phenoxypropyl)disulfanyl]propanoate
CID 160907469
4-oxo-4-(4-propoxycarbonylphenoxy)butanoic acid
CID 88551533
pyridin-4-yl 2-cyclohexylacetate
CID 67828041

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-pyridin-4-yloxybutanoic acid?
The IUPAC name of 4-oxo-4-pyridin-4-yloxybutanoic acid (CID 150022305) is 4-oxo-4-pyridin-4-yloxybutanoic acid.
What is the SMILES notation for 4-oxo-4-pyridin-4-yloxybutanoic acid?
The canonical SMILES for 4-oxo-4-pyridin-4-yloxybutanoic acid is O=C(O)CCC(=O)Oc1ccncc1.
What is the InChIKey of 4-oxo-4-pyridin-4-yloxybutanoic acid?
The InChIKey is DFMQHWMEQQHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-8(12)1-2-9(13)14-7-3-5-10-6-4-7/h3-6H,1-2H2,(H,11,12).
What are the key properties of 4-oxo-4-pyridin-4-yloxybutanoic acid?
4-oxo-4-pyridin-4-yloxybutanoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-pyridin-4-yloxybutanoic acid is sourced from PubChem (CID 150022305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).