[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate

C14H19N3O2 — CID 90192466

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate
SMILESNC(C(=O)O[C@H]1CN2CCC1CC2)c1cccnc1
InChIInChI=1S/C14H19N3O2/c15-13(11-2-1-5-16-8-11)14(18)19-12-9-17-6-3-10(12)4-7-17/h1-2,5,8,10,12-13H,3-4,6-7,9,15H2/t12-,13?/m0/s1
InChIKeyMVWBEBLCZQOWGX-UEWDXFNNSA-N
MW261.32 g/mol
LogP0.72
Rot. Bonds3

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate (PubChem CID 90192466) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate
PubChem CID90192466
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate
SMILESNC(C(=O)O[C@H]1CN2CCC1CC2)c1cccnc1
InChIInChI=1S/C14H19N3O2/c15-13(11-2-1-5-16-8-11)14(18)19-12-9-17-6-3-10(12)4-7-17/h1-2,5,8,10,12-13H,3-4,6-7,9,15H2/t12-,13?/m0/s1
InChIKeyMVWBEBLCZQOWGX-UEWDXFNNSA-N
XLogP0.72
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-amino-2-phenylacetate
CID 86720689
1-azabicyclo[2.2.2]octan-3-yl 2-amino-2-(4-chlorophenyl)acetate
CID 67606499
1-azabicyclo[2.2.2]octan-3-yl 2-amino-2-(4-methylphenyl)acetate;dihydrochloride
CID 67607085
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-(4-chlorophenyl)acetate;dihydrochloride
CID 67606496
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-phenylacetate
CID 141054265
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-(tetrazol-1-yl)acetate
CID 67901153
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-(2-methoxyphenyl)acetate
CID 90192463
1-azabicyclo[2.2.2]octan-3-yl 2-(methoxycarbonylamino)-2-phenylacetate
CID 67607569
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-(cyclohexylamino)-2-phenylacetate;ethane
CID 160770790
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-(4-fluoroanilino)-2-phenylacetate
CID 59401133
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 67425060
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
CID 67605836

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate (CID 90192466) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate is NC(C(=O)O[C@H]1CN2CCC1CC2)c1cccnc1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate?
The InChIKey is MVWBEBLCZQOWGX-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(11-2-1-5-16-8-11)14(18)19-12-9-17-6-3-10(12)4-7-17/h1-2,5,8,10,12-13H,3-4,6-7,9,15H2/t12-,13?/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate has a molecular weight of 261.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-amino-2-pyridin-3-ylacetate is sourced from PubChem (CID 90192466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).