ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate

C18H25N3O2 — CID 118275484

IUPACethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate
SMILESCCOC(=O)C1CC2(C1)CC1CCC(C2)N1c1ccc(N)cn1
InChIInChI=1S/C18H25N3O2/c1-2-23-17(22)12-7-18(8-12)9-14-4-5-15(10-18)21(14)16-6-3-13(19)11-20-16/h3,6,11-12,14-15H,2,4-5,7-10,19H2,1H3
InChIKeyUKLZTDVYZSLHCO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.75
Rot. Bonds3

About ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate

ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate (PubChem CID 118275484) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate
PubChem CID118275484
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nameethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate
SMILESCCOC(=O)C1CC2(C1)CC1CCC(C2)N1c1ccc(N)cn1
InChIInChI=1S/C18H25N3O2/c1-2-23-17(22)12-7-18(8-12)9-14-4-5-15(10-18)21(14)16-6-3-13(19)11-20-16/h3,6,11-12,14-15H,2,4-5,7-10,19H2,1H3
InChIKeyUKLZTDVYZSLHCO-UHFFFAOYSA-N
XLogP2.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate with MolForge

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Related Compounds

ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
CID 46743248
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine
CID 123878669
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate
CID 166113221
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
ethyl 7-oxospiro[3.5]nonane-2-carboxylate
CID 171536506
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate?
The IUPAC name of ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate (CID 118275484) is ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate.
What is the SMILES notation for ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate?
The canonical SMILES for ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate is CCOC(=O)C1CC2(C1)CC1CCC(C2)N1c1ccc(N)cn1.
What is the InChIKey of ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate?
The InChIKey is UKLZTDVYZSLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-23-17(22)12-7-18(8-12)9-14-4-5-15(10-18)21(14)16-6-3-13(19)11-20-16/h3,6,11-12,14-15H,2,4-5,7-10,19H2,1H3.
What are the key properties of ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate?
ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate is sourced from PubChem (CID 118275484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).