ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate

C13H24N2O2 — CID 82856390

IUPACethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
SMILESCCNC1(CC(=O)OCC)CCN2CCCC21
InChIInChI=1S/C13H24N2O2/c1-3-14-13(10-12(16)17-4-2)7-9-15-8-5-6-11(13)15/h11,14H,3-10H2,1-2H3
InChIKeyFGLFKGXFNQJQPF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate

ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate (PubChem CID 82856390) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
PubChem CID82856390
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
SMILESCCNC1(CC(=O)OCC)CCN2CCCC21
InChIInChI=1S/C13H24N2O2/c1-3-14-13(10-12(16)17-4-2)7-9-15-8-5-6-11(13)15/h11,14H,3-10H2,1-2H3
InChIKeyFGLFKGXFNQJQPF-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide
CID 82856391
ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857077
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
ethyl 2-[4-(methylamino)-1-azabicyclo[3.2.1]octan-4-yl]acetate
CID 105366232
ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844697
ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)butanoate
CID 82855879
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate
CID 65236737
[1-(2,2-dimethylhydrazinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 83010988
ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236956
ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
CID 65235828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate?
The IUPAC name of ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate (CID 82856390) is ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate?
The canonical SMILES for ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate is CCNC1(CC(=O)OCC)CCN2CCCC21.
What is the InChIKey of ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate?
The InChIKey is FGLFKGXFNQJQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-14-13(10-12(16)17-4-2)7-9-15-8-5-6-11(13)15/h11,14H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate?
ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate has a molecular weight of 240.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate is sourced from PubChem (CID 82856390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).