[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate

C12H15NO4 — CID 156905483

IUPAC[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
SMILESCCOC(=O)Cc1ccncc1OC(=O)CC
InChIInChI=1S/C12H15NO4/c1-3-11(14)17-10-8-13-6-5-9(10)7-12(15)16-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOJCROWYNWOLPAV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.50
Rot. Bonds5

About [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate

[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate (PubChem CID 156905483) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate.

Molecular Properties

Compound Name[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
PubChem CID156905483
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
SMILESCCOC(=O)Cc1ccncc1OC(=O)CC
InChIInChI=1S/C12H15NO4/c1-3-11(14)17-10-8-13-6-5-9(10)7-12(15)16-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOJCROWYNWOLPAV-UHFFFAOYSA-N
XLogP1.50
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate?
The IUPAC name of [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate (CID 156905483) is [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate.
What is the SMILES notation for [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate?
The canonical SMILES for [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate is CCOC(=O)Cc1ccncc1OC(=O)CC.
What is the InChIKey of [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate?
The InChIKey is OJCROWYNWOLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-11(14)17-10-8-13-6-5-9(10)7-12(15)16-4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate?
[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate has a molecular weight of 237.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate is sourced from PubChem (CID 156905483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).