methyl 2-methyl-2-pyridin-2-ylpropanoate

C10H13NO2 — CID 58077167

IUPACmethyl 2-methyl-2-pyridin-2-ylpropanoate
SMILESCOC(=O)C(C)(C)c1ccccn1
InChIInChI=1S/C10H13NO2/c1-10(2,9(12)13-3)8-6-4-5-7-11-8/h4-7H,1-3H3
InChIKeyMDBZEGAGINSHQW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-methyl-2-pyridin-2-ylpropanoate

methyl 2-methyl-2-pyridin-2-ylpropanoate (PubChem CID 58077167) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-methyl-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-pyridin-2-ylpropanoate
PubChem CID58077167
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-methyl-2-pyridin-2-ylpropanoate
SMILESCOC(=O)C(C)(C)c1ccccn1
InChIInChI=1S/C10H13NO2/c1-10(2,9(12)13-3)8-6-4-5-7-11-8/h4-7H,1-3H3
InChIKeyMDBZEGAGINSHQW-UHFFFAOYSA-N
XLogP1.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
CID 115174756
methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate
CID 60993352
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
methyl 4-methyl-4-pyridin-2-ylpentanoate
CID 5323750
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide
CID 68909765
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
trimethyl(2-pyridin-2-ylpropan-2-yloxy)silane
CID 157386063

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-pyridin-2-ylpropanoate?
The IUPAC name of methyl 2-methyl-2-pyridin-2-ylpropanoate (CID 58077167) is methyl 2-methyl-2-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-pyridin-2-ylpropanoate?
The canonical SMILES for methyl 2-methyl-2-pyridin-2-ylpropanoate is COC(=O)C(C)(C)c1ccccn1.
What is the InChIKey of methyl 2-methyl-2-pyridin-2-ylpropanoate?
The InChIKey is MDBZEGAGINSHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,9(12)13-3)8-6-4-5-7-11-8/h4-7H,1-3H3.
What are the key properties of methyl 2-methyl-2-pyridin-2-ylpropanoate?
methyl 2-methyl-2-pyridin-2-ylpropanoate has a molecular weight of 179.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 58077167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).