2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid

C10H13NO3 — CID 86277143

IUPAC2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid
SMILESCOc1ccc(C(C)(C)C(=O)O)nc1
InChIInChI=1S/C10H13NO3/c1-10(2,9(12)13)8-5-4-7(14-3)6-11-8/h4-6H,1-3H3,(H,12,13)
InChIKeyGJTRCGGDBSABRK-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.45
Rot. Bonds3

About 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid

2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid (PubChem CID 86277143) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid
PubChem CID86277143
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid
SMILESCOc1ccc(C(C)(C)C(=O)O)nc1
InChIInChI=1S/C10H13NO3/c1-10(2,9(12)13)8-5-4-7(14-3)6-11-8/h4-6H,1-3H3,(H,12,13)
InChIKeyGJTRCGGDBSABRK-UHFFFAOYSA-N
XLogP1.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-2-pyridinyl)butan-2-amine
CID 130545492
2-tert-butyl-5-methoxypyridine;pyrrolidine
CID 145197740
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
6-[2-(4-methoxyphenyl)propan-2-yl]pyridin-3-ol
CID 167437084
2-[(5-methoxy-2-pyridinyl)-methylamino]-2-methylpropan-1-ol
CID 106504679
5-methoxy-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 174590597
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
CID 117122340
2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 153367928
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid (CID 86277143) is 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid is COc1ccc(C(C)(C)C(=O)O)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid?
The InChIKey is GJTRCGGDBSABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,9(12)13)8-5-4-7(14-3)6-11-8/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid?
2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 86277143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).