tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate

C14H26N2O2 — CID 61232424

IUPACtert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)9-16(4)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3
InChIKeyOJYASEDFKDRFMX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate

tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate (PubChem CID 61232424) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
PubChem CID61232424
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)9-16(4)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3
InChIKeyOJYASEDFKDRFMX-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
The IUPAC name of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate (CID 61232424) is tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate is CN(CC(=O)OC(C)(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
The InChIKey is OJYASEDFKDRFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)9-16(4)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate has a molecular weight of 254.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate is sourced from PubChem (CID 61232424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).