(1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one

C6H9NO3 — CID 55288565

IUPAC(1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one
SMILESN[C@@H]1[C@H](O)[C@@H]2O[C@H]1CC2=O
InChIInChI=1S/C6H9NO3/c7-4-3-1-2(8)6(10-3)5(4)9/h3-6,9H,1,7H2/t3-,4-,5-,6+/m0/s1
InChIKeyRIKAHYNGFMXTLX-OMMKOOBNSA-N
MW143.14 g/mol
LogP-1.59
Rot. Bonds

About (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one

(1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one (PubChem CID 55288565) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one
PubChem CID55288565
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one
SMILESN[C@@H]1[C@H](O)[C@@H]2O[C@H]1CC2=O
InChIInChI=1S/C6H9NO3/c7-4-3-1-2(8)6(10-3)5(4)9/h3-6,9H,1,7H2/t3-,4-,5-,6+/m0/s1
InChIKeyRIKAHYNGFMXTLX-OMMKOOBNSA-N
XLogP-1.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one (CID 55288565) is (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one is N[C@@H]1[C@H](O)[C@@H]2O[C@H]1CC2=O.
What is the InChIKey of (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one?
The InChIKey is RIKAHYNGFMXTLX-OMMKOOBNSA-N. The full InChI is InChI=1S/C6H9NO3/c7-4-3-1-2(8)6(10-3)5(4)9/h3-6,9H,1,7H2/t3-,4-,5-,6+/m0/s1.
What are the key properties of (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one?
(1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one has a molecular weight of 143.14 g/mol, XLogP of -1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R,6S)-5-amino-6-hydroxy-7-oxabicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 55288565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).