methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate

C11H15NO3 — CID 57379201

IUPACmethyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate
SMILESCOC(=O)CCCc1ccc(O)c(C)n1
InChIInChI=1S/C11H15NO3/c1-8-10(13)7-6-9(12-8)4-3-5-11(14)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyGCAMBACYWCGZAG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.59
Rot. Bonds4

About methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate

methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate (PubChem CID 57379201) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate
PubChem CID57379201
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate
SMILESCOC(=O)CCCc1ccc(O)c(C)n1
InChIInChI=1S/C11H15NO3/c1-8-10(13)7-6-9(12-8)4-3-5-11(14)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyGCAMBACYWCGZAG-UHFFFAOYSA-N
XLogP1.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate?
The IUPAC name of methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate (CID 57379201) is methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate.
What is the SMILES notation for methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate?
The canonical SMILES for methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate is COC(=O)CCCc1ccc(O)c(C)n1.
What is the InChIKey of methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate?
The InChIKey is GCAMBACYWCGZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-10(13)7-6-9(12-8)4-3-5-11(14)15-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate?
methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate has a molecular weight of 209.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-hydroxy-6-methyl-2-pyridinyl)butanoate is sourced from PubChem (CID 57379201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).