cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride

C13H29ClN2O2 — CID 160592906

IUPACcyclooctanamine;ethyl 3-aminopropanoate;hydrochloride
SMILESCCOC(=O)CCN.Cl.NC1CCCCCCC1
InChIInChI=1S/C8H17N.C5H11NO2.ClH/c9-8-6-4-2-1-3-5-7-8;1-2-8-5(7)3-4-6;/h8H,1-7,9H2;2-4,6H2,1H3;1H
InChIKeySTNXLVNQLNVIGG-UHFFFAOYSA-N
MW280.84 g/mol
LogP2.38
Rot. Bonds3

About cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride

cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride (PubChem CID 160592906) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namecyclooctanamine;ethyl 3-aminopropanoate;hydrochloride
PubChem CID160592906
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC Namecyclooctanamine;ethyl 3-aminopropanoate;hydrochloride
SMILESCCOC(=O)CCN.Cl.NC1CCCCCCC1
InChIInChI=1S/C8H17N.C5H11NO2.ClH/c9-8-6-4-2-1-3-5-7-8;1-2-8-5(7)3-4-6;/h8H,1-7,9H2;2-4,6H2,1H3;1H
InChIKeySTNXLVNQLNVIGG-UHFFFAOYSA-N
XLogP2.38
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride 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 cyclohexanecarboxylate;hydrochloride
CID 68985516
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
ethyl 3-(4-aminocyclohexyl)sulfanylpropanoate
CID 134086081
ethyl 3-cyclohexylsulfinylpropanoate
CID 11436210
cycloheptanamine;ethanol
CID 158239152
cyclohexanamine;ethanol
CID 159108869
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046

Frequently Asked Questions

What is the IUPAC name of cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride?
The IUPAC name of cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride (CID 160592906) is cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride.
What is the SMILES notation for cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride?
The canonical SMILES for cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride is CCOC(=O)CCN.Cl.NC1CCCCCCC1.
What is the InChIKey of cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride?
The InChIKey is STNXLVNQLNVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H11NO2.ClH/c9-8-6-4-2-1-3-5-7-8;1-2-8-5(7)3-4-6;/h8H,1-7,9H2;2-4,6H2,1H3;1H.
What are the key properties of cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride?
cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride is sourced from PubChem (CID 160592906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).