4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate

C13H20N2O3 — CID 112747614

IUPAC4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate
SMILESO=C(OC1C2CC3CNC1C3C2)N1CCOCC1
InChIInChI=1S/C13H20N2O3/c16-13(15-1-3-17-4-2-15)18-12-8-5-9-7-14-11(12)10(9)6-8/h8-12,14H,1-7H2
InChIKeyFYQFWVAGSRUJFK-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.45
Rot. Bonds1

About 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate

4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate (PubChem CID 112747614) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate.

Molecular Properties

Compound Name4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate
PubChem CID112747614
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate
SMILESO=C(OC1C2CC3CNC1C3C2)N1CCOCC1
InChIInChI=1S/C13H20N2O3/c16-13(15-1-3-17-4-2-15)18-12-8-5-9-7-14-11(12)10(9)6-8/h8-12,14H,1-7H2
InChIKeyFYQFWVAGSRUJFK-UHFFFAOYSA-N
XLogP0.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-pyrrolidin-3-yl] morpholine-4-carboxylate
CID 124511796
methyl morpholine-4-carboxylate
CID 12575354
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
CID 142844211
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone
CID 114247390
(4,4-dioxo-4λ6-thia-5-azatricyclo[4.2.1.03,7]nonan-9-yl) 2-morpholin-4-ylacetate
CID 170264854
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl morpholine-4-carboxylate;ethane;molecular hydrogen
CID 144963157
N'-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]morpholine-4-carbohydrazide
CID 99811031
(2-methoxy-1-morpholin-4-yl-2-oxoethylidene)chromium
CID 11175495
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate
CID 170530170
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
dimethyl 4,7,13,16-tetraoxa-1,10,21,24-tetrazabicyclo[8.8.8]hexacosane-21,24-dicarboxylate
CID 21316288

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate?
The IUPAC name of 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate (CID 112747614) is 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate.
What is the SMILES notation for 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate?
The canonical SMILES for 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate is O=C(OC1C2CC3CNC1C3C2)N1CCOCC1.
What is the InChIKey of 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate?
The InChIKey is FYQFWVAGSRUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-13(15-1-3-17-4-2-15)18-12-8-5-9-7-14-11(12)10(9)6-8/h8-12,14H,1-7H2.
What are the key properties of 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate?
4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate is sourced from PubChem (CID 112747614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).