ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate

C14H25NO2 — CID 65320107

IUPACethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
SMILESCCOC(=O)CC(C)N1CCCC2CCCC21
InChIInChI=1S/C14H25NO2/c1-3-17-14(16)10-11(2)15-9-5-7-12-6-4-8-13(12)15/h11-13H,3-10H2,1-2H3
InChIKeyGEFUFAYCJYFQKT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds4

About ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate

ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate (PubChem CID 65320107) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
PubChem CID65320107
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
SMILESCCOC(=O)CC(C)N1CCCC2CCCC21
InChIInChI=1S/C14H25NO2/c1-3-17-14(16)10-11(2)15-9-5-7-12-6-4-8-13(12)15/h11-13H,3-10H2,1-2H3
InChIKeyGEFUFAYCJYFQKT-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate 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

ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
CID 64662882
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
ethyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 82749943
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 65324725
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 102727993
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
CID 43404889

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate?
The IUPAC name of ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate (CID 65320107) is ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate?
The canonical SMILES for ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate is CCOC(=O)CC(C)N1CCCC2CCCC21.
What is the InChIKey of ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate?
The InChIKey is GEFUFAYCJYFQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-17-14(16)10-11(2)15-9-5-7-12-6-4-8-13(12)15/h11-13H,3-10H2,1-2H3.
What are the key properties of ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate?
ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate is sourced from PubChem (CID 65320107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).