ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate

C13H19NO3 — CID 154931055

IUPACethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1cc(CC)ccn1
InChIInChI=1S/C13H19NO3/c1-5-10-7-8-14-11(9-10)17-13(3,4)12(15)16-6-2/h7-9H,5-6H2,1-4H3
InChIKeyIYESFCBAJFEQDD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds5

About ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate

ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate (PubChem CID 154931055) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate
PubChem CID154931055
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1cc(CC)ccn1
InChIInChI=1S/C13H19NO3/c1-5-10-7-8-14-11(9-10)17-13(3,4)12(15)16-6-2/h7-9H,5-6H2,1-4H3
InChIKeyIYESFCBAJFEQDD-UHFFFAOYSA-N
XLogP2.36
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-(trifluoromethoxy)pyridine
CID 122546052
[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate
CID 87787282
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
CID 129262497
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
CID 143887613
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
ethyl (2S)-2-[[4-(bromomethyl)-2-pyridinyl]oxy]propanoate
CID 86732635
ethyl 2-(3-isocyanophenoxy)-2-methylpropanoate
CID 58009621
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate (CID 154931055) is ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1cc(CC)ccn1.
What is the InChIKey of ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate?
The InChIKey is IYESFCBAJFEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-10-7-8-14-11(9-10)17-13(3,4)12(15)16-6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate?
ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate is sourced from PubChem (CID 154931055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).