methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate

C16H17NO3 — CID 117241320

IUPACmethyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1C)c1cccnc1
InChIInChI=1S/C16H17NO3/c1-12-6-3-4-8-15(12)20-11-14(16(18)19-2)13-7-5-9-17-10-13/h3-10,14H,11H2,1-2H3
InChIKeyPZDWWPZXVAMNFB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds5

About methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate

methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate (PubChem CID 117241320) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
PubChem CID117241320
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1C)c1cccnc1
InChIInChI=1S/C16H17NO3/c1-12-6-3-4-8-15(12)20-11-14(16(18)19-2)13-7-5-9-17-10-13/h3-10,14H,11H2,1-2H3
InChIKeyPZDWWPZXVAMNFB-UHFFFAOYSA-N
XLogP2.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
methyl 3-phenoxy-2-pyridin-4-ylpropanoate
CID 117246578
methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
CID 117241131
methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
CID 117244304
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate?
The IUPAC name of methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate (CID 117241320) is methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate is COC(=O)C(COc1ccccc1C)c1cccnc1.
What is the InChIKey of methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate?
The InChIKey is PZDWWPZXVAMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-6-3-4-8-15(12)20-11-14(16(18)19-2)13-7-5-9-17-10-13/h3-10,14H,11H2,1-2H3.
What are the key properties of methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate?
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate has a molecular weight of 271.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 117241320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).