methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate

C10H13NO4 — CID 10822380

IUPACmethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C10H13NO4/c1-7-10(14)8(12)3-5-11(7)6-4-9(13)15-2/h3,5,14H,4,6H2,1-2H3
InChIKeyYNGLFSDJUHTIJN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.43
Rot. Bonds3

About methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate

methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate (PubChem CID 10822380) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
PubChem CID10822380
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C10H13NO4/c1-7-10(14)8(12)3-5-11(7)6-4-9(13)15-2/h3,5,14H,4,6H2,1-2H3
InChIKeyYNGLFSDJUHTIJN-UHFFFAOYSA-N
XLogP0.43
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate (CID 10822380) is methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate is COC(=O)CCn1ccc(=O)c(O)c1C.
What is the InChIKey of methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
The InChIKey is YNGLFSDJUHTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-10(14)8(12)3-5-11(7)6-4-9(13)15-2/h3,5,14H,4,6H2,1-2H3.
What are the key properties of methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate has a molecular weight of 211.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 10822380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).