3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid

C11H15NO3 — CID 83884346

IUPAC3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid
SMILESCOCc1cc(CC(C)C(=O)O)ccn1
InChIInChI=1S/C11H15NO3/c1-8(11(13)14)5-9-3-4-12-10(6-9)7-15-2/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)
InChIKeyXPWNJAHWSUSOKE-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.49
Rot. Bonds5

About 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid

3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid (PubChem CID 83884346) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid
PubChem CID83884346
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid
SMILESCOCc1cc(CC(C)C(=O)O)ccn1
InChIInChI=1S/C11H15NO3/c1-8(11(13)14)5-9-3-4-12-10(6-9)7-15-2/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)
InChIKeyXPWNJAHWSUSOKE-UHFFFAOYSA-N
XLogP1.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid
CID 84772622
3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
CID 115009281
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
CID 67530586
CID 67530586
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117490387
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid (CID 83884346) is 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid is COCc1cc(CC(C)C(=O)O)ccn1.
What is the InChIKey of 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid?
The InChIKey is XPWNJAHWSUSOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(13)14)5-9-3-4-12-10(6-9)7-15-2/h3-4,6,8H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid?
3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid is sourced from PubChem (CID 83884346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).