(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one

C7H11NO2 — CID 129413410

IUPAC(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
SMILESO=C1N[C@@H]2CC[C@H](O)[C@@H]1C2
InChIInChI=1S/C7H11NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-6,9H,1-3H2,(H,8,10)/t4-,5+,6+/m1/s1
InChIKeyRWGGGPWVIRCTJG-SRQIZXRXSA-N
MW141.17 g/mol
LogP-0.35
Rot. Bonds

About (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one

(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 129413410) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
PubChem CID129413410
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
SMILESO=C1N[C@@H]2CC[C@H](O)[C@@H]1C2
InChIInChI=1S/C7H11NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-6,9H,1-3H2,(H,8,10)/t4-,5+,6+/m1/s1
InChIKeyRWGGGPWVIRCTJG-SRQIZXRXSA-N
XLogP-0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one (CID 129413410) is (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one is O=C1N[C@@H]2CC[C@H](O)[C@@H]1C2.
What is the InChIKey of (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is RWGGGPWVIRCTJG-SRQIZXRXSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-6,9H,1-3H2,(H,8,10)/t4-,5+,6+/m1/s1.
What are the key properties of (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one?
(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 141.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 129413410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).