ethyl 3-(2-pyridin-2-ylethoxy)butanoate

C13H19NO3 — CID 115001946

IUPACethyl 3-(2-pyridin-2-ylethoxy)butanoate
SMILESCCOC(=O)CC(C)OCCc1ccccn1
InChIInChI=1S/C13H19NO3/c1-3-16-13(15)10-11(2)17-9-7-12-6-4-5-8-14-12/h4-6,8,11H,3,7,9-10H2,1-2H3
InChIKeyMFUBSFGUZJVRLL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.98
Rot. Bonds7

About ethyl 3-(2-pyridin-2-ylethoxy)butanoate

ethyl 3-(2-pyridin-2-ylethoxy)butanoate (PubChem CID 115001946) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-(2-pyridin-2-ylethoxy)butanoate.

Molecular Properties

Compound Nameethyl 3-(2-pyridin-2-ylethoxy)butanoate
PubChem CID115001946
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 3-(2-pyridin-2-ylethoxy)butanoate
SMILESCCOC(=O)CC(C)OCCc1ccccn1
InChIInChI=1S/C13H19NO3/c1-3-16-13(15)10-11(2)17-9-7-12-6-4-5-8-14-12/h4-6,8,11H,3,7,9-10H2,1-2H3
InChIKeyMFUBSFGUZJVRLL-UHFFFAOYSA-N
XLogP1.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

2-(2-Methoxyethyl)pyridine
CID 66991
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-(2-Ethoxyethyl)pyridine
CID 98758
Ethyl 2-cyano-2-(pyridin-2-yl)acetate
CID 2842210
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
Pyridine, 2-(2-(1-methylethoxy)ethyl)-
CID 116853
2-Pyridinylmethyl butyrate
CID 99347
alpha-Methyl-2-pyridineethanol
CID 578865
Ethyl difluoro(pyridin-2-yl)acetate
CID 10631894
2-(5-Ethyl-2-pyridyl)ethyl acrylate
CID 31232
Butyl 2-(pyridin-2-yl)acetate
CID 14936493

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-pyridin-2-ylethoxy)butanoate?
The IUPAC name of ethyl 3-(2-pyridin-2-ylethoxy)butanoate (CID 115001946) is ethyl 3-(2-pyridin-2-ylethoxy)butanoate.
What is the SMILES notation for ethyl 3-(2-pyridin-2-ylethoxy)butanoate?
The canonical SMILES for ethyl 3-(2-pyridin-2-ylethoxy)butanoate is CCOC(=O)CC(C)OCCc1ccccn1.
What is the InChIKey of ethyl 3-(2-pyridin-2-ylethoxy)butanoate?
The InChIKey is MFUBSFGUZJVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-16-13(15)10-11(2)17-9-7-12-6-4-5-8-14-12/h4-6,8,11H,3,7,9-10H2,1-2H3.
What are the key properties of ethyl 3-(2-pyridin-2-ylethoxy)butanoate?
ethyl 3-(2-pyridin-2-ylethoxy)butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-pyridin-2-ylethoxy)butanoate is sourced from PubChem (CID 115001946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).