methyl 2-methyl-2-pyridin-3-ylpropanoate

C10H13NO2 — CID 54537815

IUPACmethyl 2-methyl-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(C)(C)c1cccnc1
InChIInChI=1S/C10H13NO2/c1-10(2,9(12)13-3)8-5-4-6-11-7-8/h4-7H,1-3H3
InChIKeyHAKXMRRMTGWTMN-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-methyl-2-pyridin-3-ylpropanoate

methyl 2-methyl-2-pyridin-3-ylpropanoate (PubChem CID 54537815) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-methyl-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-pyridin-3-ylpropanoate
PubChem CID54537815
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-methyl-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(C)(C)c1cccnc1
InChIInChI=1S/C10H13NO2/c1-10(2,9(12)13-3)8-5-4-6-11-7-8/h4-7H,1-3H3
InChIKeyHAKXMRRMTGWTMN-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 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate
CID 75500018
methyl 2-(prop-2-ynylamino)-2-pyridin-3-ylpropanoate
CID 62365284
2-methyl-2-pyridin-3-yl-1-pyridin-4-ylpropan-1-one
CID 169443574
methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate
CID 60994852
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
2-pyridin-3-ylpropane-2-sulfinic acid
CID 174709525
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-pyridin-3-ylpropanoate?
The IUPAC name of methyl 2-methyl-2-pyridin-3-ylpropanoate (CID 54537815) is methyl 2-methyl-2-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 2-methyl-2-pyridin-3-ylpropanoate is COC(=O)C(C)(C)c1cccnc1.
What is the InChIKey of methyl 2-methyl-2-pyridin-3-ylpropanoate?
The InChIKey is HAKXMRRMTGWTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,9(12)13-3)8-5-4-6-11-7-8/h4-7H,1-3H3.
What are the key properties of methyl 2-methyl-2-pyridin-3-ylpropanoate?
methyl 2-methyl-2-pyridin-3-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-3-ylpropanoate is sourced from PubChem (CID 54537815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).