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

C13H24N2O2 — CID 61231285

IUPACpropan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-9(2)17-13(16)8-15(3)12-6-10-4-5-11(7-12)14-10/h9-12,14H,4-8H2,1-3H3
InChIKeyPJDKOCRJRPSKOZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds4

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

propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate (PubChem CID 61231285) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
PubChem CID61231285
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namepropan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-9(2)17-13(16)8-15(3)12-6-10-4-5-11(7-12)14-10/h9-12,14H,4-8H2,1-3H3
InChIKeyPJDKOCRJRPSKOZ-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61232424
propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
CID 78947797
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N,N-dipropylacetamide
CID 61232221
N'-acetyl-2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetohydrazide
CID 61233382
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 112703716
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol
CID 103160829
methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79619644
3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 79619645
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 61231079

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate (CID 61231285) is propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate is CC(C)OC(=O)CN(C)C1CC2CCC(C1)N2.
What is the InChIKey of propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
The InChIKey is PJDKOCRJRPSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)17-13(16)8-15(3)12-6-10-4-5-11(7-12)14-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate?
propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate has a molecular weight of 240.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate is sourced from PubChem (CID 61231285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).