ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate

C14H26N2O2 — CID 117050827

IUPACethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate
SMILESCCOC(=O)CCN1CC2CC1CCC2CCN
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)6-8-16-10-12-9-13(16)4-3-11(12)5-7-15/h11-13H,2-10,15H2,1H3
InChIKeyOAIMVTGLSYYKAB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds6

About ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate

ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate (PubChem CID 117050827) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate
PubChem CID117050827
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate
SMILESCCOC(=O)CCN1CC2CC1CCC2CCN
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)6-8-16-10-12-9-13(16)4-3-11(12)5-7-15/h11-13H,2-10,15H2,1H3
InChIKeyOAIMVTGLSYYKAB-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-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

Related Compounds

ethyl 3-[5-(2-ethoxy-2-oxoethyl)-2-azabicyclo[2.2.2]octan-2-yl]propanoate
CID 117050417
ethyl 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanoate;hydrochloride
CID 134821003
ethyl 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetate
CID 124526616
ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
CID 118992889
ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 78989273
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
ethyl (2R)-1-(3-methoxy-3-oxopropyl)aziridine-2-carboxylate
CID 2053588
ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate
CID 124721470
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
ethyl 3-(2-aminoethyl)-2-oxocyclododecane-1-carboxylate
CID 143751733
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate (CID 117050827) is ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate is CCOC(=O)CCN1CC2CC1CCC2CCN.
What is the InChIKey of ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate?
The InChIKey is OAIMVTGLSYYKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-14(17)6-8-16-10-12-9-13(16)4-3-11(12)5-7-15/h11-13H,2-10,15H2,1H3.
What are the key properties of ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate?
ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate has a molecular weight of 254.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate is sourced from PubChem (CID 117050827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).