[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate

C15H19NO3 — CID 11276989

IUPAC[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C15H19NO3/c1-18-13-4-2-3-10(7-13)15(17)19-14-8-11-5-6-12(9-14)16-11/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3/t11-,12+,14?
InChIKeyGWVGSKHNJYDCEQ-ONXXMXGDSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds3

About [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate (PubChem CID 11276989) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate.

Molecular Properties

Compound Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate
PubChem CID11276989
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C15H19NO3/c1-18-13-4-2-3-10(7-13)15(17)19-14-8-11-5-6-12(9-14)16-11/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3/t11-,12+,14?
InChIKeyGWVGSKHNJYDCEQ-ONXXMXGDSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R,5S)-3-oxo-8-azabicyclo[3.2.1]octan-2-yl] 3-methoxybenzoate
CID 101169881
2-adamantyl 3-methoxybenzoate
CID 530487
3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882259
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
[(1R)-2-oxocyclohexyl] 3-methoxybenzoate
CID 40842759
[3-(4-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 3-methoxybenzoate
CID 78236563
8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate
CID 69439371
2-methylideneoxirane;methyl 3-methoxybenzoate
CID 174957498
(4-cyclohexylphenyl) 3-methoxybenzoate
CID 6943728
(4-methylcyclohexyl)methyl 3-methoxybenzenecarboperoxoate
CID 173267211
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate?
The IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate (CID 11276989) is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate.
What is the SMILES notation for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate?
The canonical SMILES for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate is COc1cccc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3)c1.
What is the InChIKey of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate?
The InChIKey is GWVGSKHNJYDCEQ-ONXXMXGDSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-13-4-2-3-10(7-13)15(17)19-14-8-11-5-6-12(9-14)16-11/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3/t11-,12+,14?.
What are the key properties of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate?
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate has a molecular weight of 261.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate is sourced from PubChem (CID 11276989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).