(1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one

C7H11NO2 — CID 130870795

IUPAC(1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one
SMILESN[C@@H]1C[C@H]2O[C@@H]1CCC2=O
InChIInChI=1S/C7H11NO2/c8-4-3-7-5(9)1-2-6(4)10-7/h4,6-7H,1-3,8H2/t4-,6-,7-/m1/s1
InChIKeyBDBBILTVOBHOQD-QPPQHZFASA-N
MW141.17 g/mol
LogP-0.17
Rot. Bonds

About (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one

(1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one (PubChem CID 130870795) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one
PubChem CID130870795
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one
SMILESN[C@@H]1C[C@H]2O[C@@H]1CCC2=O
InChIInChI=1S/C7H11NO2/c8-4-3-7-5(9)1-2-6(4)10-7/h4,6-7H,1-3,8H2/t4-,6-,7-/m1/s1
InChIKeyBDBBILTVOBHOQD-QPPQHZFASA-N
XLogP-0.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one (CID 130870795) is (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one is N[C@@H]1C[C@H]2O[C@@H]1CCC2=O.
What is the InChIKey of (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one?
The InChIKey is BDBBILTVOBHOQD-QPPQHZFASA-N. The full InChI is InChI=1S/C7H11NO2/c8-4-3-7-5(9)1-2-6(4)10-7/h4,6-7H,1-3,8H2/t4-,6-,7-/m1/s1.
What are the key properties of (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one?
(1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-amino-8-oxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 130870795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).