ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate

C14H21NO3 — CID 83042470

IUPACethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
SMILESCCCC(C(=O)OCC)C(C)(O)c1ccncc1
InChIInChI=1S/C14H21NO3/c1-4-6-12(13(16)18-5-2)14(3,17)11-7-9-15-10-8-11/h7-10,12,17H,4-6H2,1-3H3
InChIKeyYKDIOPYSWJYFNX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds6

About ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate

ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate (PubChem CID 83042470) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
PubChem CID83042470
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
SMILESCCCC(C(=O)OCC)C(C)(O)c1ccncc1
InChIInChI=1S/C14H21NO3/c1-4-6-12(13(16)18-5-2)14(3,17)11-7-9-15-10-8-11/h7-10,12,17H,4-6H2,1-3H3
InChIKeyYKDIOPYSWJYFNX-UHFFFAOYSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
CID 83042890
ethyl 2-[1-(3-chlorophenyl)-1-hydroxyethyl]pentanoate
CID 83042781
ethyl 2,2-difluoro-3-hydroxy-3-pyridin-4-ylbutanoate
CID 62397575
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
ethyl 3-[4-(dimethylamino)phenyl]-2-ethyl-3-hydroxybutanoate
CID 62394361
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
CID 62397995
ethyl 2-acetyl-3-oxo-2-pyridin-4-ylbutanoate
CID 102130111
ethyl 2-(2-pyridin-4-ylacetyl)pentanoate
CID 83048780
ethyl 2-cyano-2-pyridin-4-ylpropanoate
CID 12758197
ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
CID 65236089
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate?
The IUPAC name of ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate (CID 83042470) is ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate.
What is the SMILES notation for ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate?
The canonical SMILES for ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate is CCCC(C(=O)OCC)C(C)(O)c1ccncc1.
What is the InChIKey of ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate?
The InChIKey is YKDIOPYSWJYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-12(13(16)18-5-2)14(3,17)11-7-9-15-10-8-11/h7-10,12,17H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate?
ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate is sourced from PubChem (CID 83042470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).