methyl 2-methyl-3-pyridin-2-ylbutanoate

C11H15NO2 — CID 102470935

IUPACmethyl 2-methyl-3-pyridin-2-ylbutanoate
SMILESCOC(=O)C(C)C(C)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-8(9(2)11(13)14-3)10-6-4-5-7-12-10/h4-9H,1-3H3
InChIKeyWZDRUEWJYVMJTI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds3

About methyl 2-methyl-3-pyridin-2-ylbutanoate

methyl 2-methyl-3-pyridin-2-ylbutanoate (PubChem CID 102470935) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-methyl-3-pyridin-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-pyridin-2-ylbutanoate
PubChem CID102470935
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-methyl-3-pyridin-2-ylbutanoate
SMILESCOC(=O)C(C)C(C)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-8(9(2)11(13)14-3)10-6-4-5-7-12-10/h4-9H,1-3H3
InChIKeyWZDRUEWJYVMJTI-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
methyl 2-bromo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 103258322
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
CID 101379126
tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate
CID 129192624

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-pyridin-2-ylbutanoate?
The IUPAC name of methyl 2-methyl-3-pyridin-2-ylbutanoate (CID 102470935) is methyl 2-methyl-3-pyridin-2-ylbutanoate.
What is the SMILES notation for methyl 2-methyl-3-pyridin-2-ylbutanoate?
The canonical SMILES for methyl 2-methyl-3-pyridin-2-ylbutanoate is COC(=O)C(C)C(C)c1ccccn1.
What is the InChIKey of methyl 2-methyl-3-pyridin-2-ylbutanoate?
The InChIKey is WZDRUEWJYVMJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(9(2)11(13)14-3)10-6-4-5-7-12-10/h4-9H,1-3H3.
What are the key properties of methyl 2-methyl-3-pyridin-2-ylbutanoate?
methyl 2-methyl-3-pyridin-2-ylbutanoate has a molecular weight of 193.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-pyridin-2-ylbutanoate is sourced from PubChem (CID 102470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).