ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate

C13H19NO3 — CID 22494133

IUPACethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(Cc1ccncc1)OC(C)C
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)12(17-10(2)3)9-11-5-7-14-8-6-11/h5-8,10,12H,4,9H2,1-3H3
InChIKeyMCJYSFOYYFNTBT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate

ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate (PubChem CID 22494133) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
PubChem CID22494133
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(Cc1ccncc1)OC(C)C
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)12(17-10(2)3)9-11-5-7-14-8-6-11/h5-8,10,12H,4,9H2,1-3H3
InChIKeyMCJYSFOYYFNTBT-UHFFFAOYSA-N
XLogP1.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
diethyl 2-(pyridin-4-ylmethyl)butanedioate
CID 14982424
ethyl 3-[3-(aminomethyl)-4-methoxyphenyl]-2-propan-2-yloxypropanoate
CID 22493983
methyl 3-(4-aminophenyl)-2-propan-2-yloxypropanoate
CID 141068756
ethyl 3-[3-(3-oxoprop-1-ynyl)phenyl]-2-propan-2-yloxypropanoate
CID 142193257
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
diethyl 2-propan-2-yloxybutanedioate
CID 139989245
ethyl 2-(2-pyridin-4-ylacetyl)pentanoate
CID 83048780
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
ethane;1-O-ethyl 2-O-(pyridin-4-ylmethyl) oxalate
CID 145065639
2-methoxy-N-methyl-3-pyridin-4-ylpropanamide
CID 69110755
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate (CID 22494133) is ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate is CCOC(=O)C(Cc1ccncc1)OC(C)C.
What is the InChIKey of ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate?
The InChIKey is MCJYSFOYYFNTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-13(15)12(17-10(2)3)9-11-5-7-14-8-6-11/h5-8,10,12H,4,9H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate?
ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 22494133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).