ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate

C15H21NO4 — CID 103484981

IUPACethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
SMILESCCOC(=O)CCC(=O)COCCCc1ccncc1
InChIInChI=1S/C15H21NO4/c1-2-20-15(18)6-5-14(17)12-19-11-3-4-13-7-9-16-10-8-13/h7-10H,2-6,11-12H2,1H3
InChIKeySDMFLVWQCZTRIX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.94
Rot. Bonds10

About ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate

ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate (PubChem CID 103484981) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
PubChem CID103484981
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
SMILESCCOC(=O)CCC(=O)COCCCc1ccncc1
InChIInChI=1S/C15H21NO4/c1-2-20-15(18)6-5-14(17)12-19-11-3-4-13-7-9-16-10-8-13/h7-10H,2-6,11-12H2,1H3
InChIKeySDMFLVWQCZTRIX-UHFFFAOYSA-N
XLogP1.94
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate 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

3-pyridin-4-ylpropyl pentanoate
CID 78842155
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
CID 60554630
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 115538896
3-pyridin-4-ylpropyl 2-methylpentanoate
CID 78841674
1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62029515

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate?
The IUPAC name of ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate (CID 103484981) is ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate.
What is the SMILES notation for ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate?
The canonical SMILES for ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate is CCOC(=O)CCC(=O)COCCCc1ccncc1.
What is the InChIKey of ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate?
The InChIKey is SDMFLVWQCZTRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-20-15(18)6-5-14(17)12-19-11-3-4-13-7-9-16-10-8-13/h7-10H,2-6,11-12H2,1H3.
What are the key properties of ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate?
ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate has a molecular weight of 279.34 g/mol, XLogP of 1.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate is sourced from PubChem (CID 103484981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).