methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate

C10H11NO4 — CID 21058132

IUPACmethyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
SMILESCOC(=O)C(O)CC(=O)c1cccnc1
InChIInChI=1S/C10H11NO4/c1-15-10(14)9(13)5-8(12)7-3-2-4-11-6-7/h2-4,6,9,13H,5H2,1H3
InChIKeyIMLJYNMKSAQQSJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.19
Rot. Bonds4

About methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate

methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate (PubChem CID 21058132) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
PubChem CID21058132
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
SMILESCOC(=O)C(O)CC(=O)c1cccnc1
InChIInChI=1S/C10H11NO4/c1-15-10(14)9(13)5-8(12)7-3-2-4-11-6-7/h2-4,6,9,13H,5H2,1H3
InChIKeyIMLJYNMKSAQQSJ-UHFFFAOYSA-N
XLogP0.19
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
3-amino-1-pyridin-3-ylhexan-1-one
CID 116607864
methyl (2R)-2-bromo-3-oxo-3-pyridin-3-ylpropanoate
CID 124581778
(111C)methyl pyridine-3-carboxylate
CID 11309537
dimethyl carbonate;methyl 3-oxo-3-pyridin-3-ylpropanoate;1-pyridin-3-ylethanone
CID 160688200
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate?
The IUPAC name of methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate (CID 21058132) is methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate.
What is the SMILES notation for methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate?
The canonical SMILES for methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate is COC(=O)C(O)CC(=O)c1cccnc1.
What is the InChIKey of methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate?
The InChIKey is IMLJYNMKSAQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)9(13)5-8(12)7-3-2-4-11-6-7/h2-4,6,9,13H,5H2,1H3.
What are the key properties of methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate?
methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate has a molecular weight of 209.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate is sourced from PubChem (CID 21058132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).