methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate

C14H26N2O2 — CID 79619644

IUPACmethyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O2/c1-14(2,13(17)18-4)9-16(3)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3
InChIKeyFGJVQVIFVPTJRU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds4

About methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate

methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate (PubChem CID 79619644) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate
PubChem CID79619644
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O2/c1-14(2,13(17)18-4)9-16(3)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3
InChIKeyFGJVQVIFVPTJRU-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate with MolForge

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Related Compounds

3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 79619645
methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79619984
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
CID 79621216
methyl 2,2-dimethyl-3-[methyl-(4-oxocyclohexyl)amino]propanoate
CID 79623383
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61232424
methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79623279
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
CID 120835310
propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61231285
N'-acetyl-2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetohydrazide
CID 61233382
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N,N-dipropylacetamide
CID 61232221

Frequently Asked Questions

What is the IUPAC name of methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate (CID 79619644) is methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)C1CC2CCC(C1)N2.
What is the InChIKey of methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate?
The InChIKey is FGJVQVIFVPTJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,13(17)18-4)9-16(3)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3.
What are the key properties of methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate?
methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).