[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate

C7H9NO5 — CID 68628466

IUPAC[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate
SMILESO=C(O)OC1CC[C@@H]2CN1C(=O)O2
InChIInChI=1S/C7H9NO5/c9-6-8-3-4(12-6)1-2-5(8)13-7(10)11/h4-5H,1-3H2,(H,10,11)/t4-,5?/m1/s1
InChIKeyXDPCHLPKWBDEMS-CNZKWPKMSA-N
MW187.15 g/mol
LogP0.62
Rot. Bonds1

About [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate

[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate (PubChem CID 68628466) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate
PubChem CID68628466
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate
SMILESO=C(O)OC1CC[C@@H]2CN1C(=O)O2
InChIInChI=1S/C7H9NO5/c9-6-8-3-4(12-6)1-2-5(8)13-7(10)11/h4-5H,1-3H2,(H,10,11)/t4-,5?/m1/s1
InChIKeyXDPCHLPKWBDEMS-CNZKWPKMSA-N
XLogP0.62
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate?
The IUPAC name of [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate (CID 68628466) is [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate.
What is the SMILES notation for [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate?
The canonical SMILES for [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate is O=C(O)OC1CC[C@@H]2CN1C(=O)O2.
What is the InChIKey of [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate?
The InChIKey is XDPCHLPKWBDEMS-CNZKWPKMSA-N. The full InChI is InChI=1S/C7H9NO5/c9-6-8-3-4(12-6)1-2-5(8)13-7(10)11/h4-5H,1-3H2,(H,10,11)/t4-,5?/m1/s1.
What are the key properties of [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate?
[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate has a molecular weight of 187.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate is sourced from PubChem (CID 68628466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).