methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate

C10H17NO3 — CID 70062350

IUPACmethyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate
SMILESCOC(=O)CN1[C@@H]2CCC[C@@]1(O)CC2
InChIInChI=1S/C10H17NO3/c1-14-9(12)7-11-8-3-2-5-10(11,13)6-4-8/h8,13H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyMTJOWBHRGJTIAG-PSASIEDQSA-N
MW199.25 g/mol
LogP0.50
Rot. Bonds2

About methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate

methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate (PubChem CID 70062350) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate
PubChem CID70062350
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate
SMILESCOC(=O)CN1[C@@H]2CCC[C@@]1(O)CC2
InChIInChI=1S/C10H17NO3/c1-14-9(12)7-11-8-3-2-5-10(11,13)6-4-8/h8,13H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyMTJOWBHRGJTIAG-PSASIEDQSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate?
The IUPAC name of methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate (CID 70062350) is methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate.
What is the SMILES notation for methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate?
The canonical SMILES for methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate is COC(=O)CN1[C@@H]2CCC[C@@]1(O)CC2.
What is the InChIKey of methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate?
The InChIKey is MTJOWBHRGJTIAG-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-9(12)7-11-8-3-2-5-10(11,13)6-4-8/h8,13H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate?
methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate has a molecular weight of 199.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate is sourced from PubChem (CID 70062350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).