ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate

C12H17NO2 — CID 121003044

IUPACethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate
SMILESCCOC(=O)C(C)(C)c1cc(C)ccn1
InChIInChI=1S/C12H17NO2/c1-5-15-11(14)12(3,4)10-8-9(2)6-7-13-10/h6-8H,5H2,1-4H3
InChIKeyYWHGVXSCPXKKFU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.23
Rot. Bonds3

About ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate

ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate (PubChem CID 121003044) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate
PubChem CID121003044
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate
SMILESCCOC(=O)C(C)(C)c1cc(C)ccn1
InChIInChI=1S/C12H17NO2/c1-5-15-11(14)12(3,4)10-8-9(2)6-7-13-10/h6-8H,5H2,1-4H3
InChIKeyYWHGVXSCPXKKFU-UHFFFAOYSA-N
XLogP2.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate (CID 121003044) is ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate is CCOC(=O)C(C)(C)c1cc(C)ccn1.
What is the InChIKey of ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate?
The InChIKey is YWHGVXSCPXKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-15-11(14)12(3,4)10-8-9(2)6-7-13-10/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate?
ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate has a molecular weight of 207.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 121003044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).