ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate

C17H28N2O3 — CID 10902918

IUPACethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate
SMILESCCOC(=O)CCC1CN2CCCC2C=C1N1CCOCC1
InChIInChI=1S/C17H28N2O3/c1-2-22-17(20)6-5-14-13-19-7-3-4-15(19)12-16(14)18-8-10-21-11-9-18/h12,14-15H,2-11,13H2,1H3
InChIKeyJSTSPCVYLHPXEB-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.64
Rot. Bonds5

About ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate

ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate (PubChem CID 10902918) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate
PubChem CID10902918
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nameethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate
SMILESCCOC(=O)CCC1CN2CCCC2C=C1N1CCOCC1
InChIInChI=1S/C17H28N2O3/c1-2-22-17(20)6-5-14-13-19-7-3-4-15(19)12-16(14)18-8-10-21-11-9-18/h12,14-15H,2-11,13H2,1H3
InChIKeyJSTSPCVYLHPXEB-UHFFFAOYSA-N
XLogP1.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate?
The IUPAC name of ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate (CID 10902918) is ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate.
What is the SMILES notation for ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate?
The canonical SMILES for ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate is CCOC(=O)CCC1CN2CCCC2C=C1N1CCOCC1.
What is the InChIKey of ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate?
The InChIKey is JSTSPCVYLHPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-22-17(20)6-5-14-13-19-7-3-4-15(19)12-16(14)18-8-10-21-11-9-18/h12,14-15H,2-11,13H2,1H3.
What are the key properties of ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate?
ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate has a molecular weight of 308.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-morpholin-4-yl-1,2,3,5,6,8a-hexahydroindolizin-6-yl)propanoate is sourced from PubChem (CID 10902918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).