(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C8H14N2O2 — CID 141143444

IUPAC(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESNC(=O)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C8H14N2O2/c9-8(12)10-5-1-2-6(10)4-7(11)3-5/h5-7,11H,1-4H2,(H2,9,12)/t5-,6-/m0/s1
InChIKeyUAUSQNHMIRQGPY-WDSKDSINSA-N
MW170.21 g/mol
LogP0.05
Rot. Bonds

About (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 141143444) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID141143444
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESNC(=O)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C8H14N2O2/c9-8(12)10-5-1-2-6(10)4-7(11)3-5/h5-7,11H,1-4H2,(H2,9,12)/t5-,6-/m0/s1
InChIKeyUAUSQNHMIRQGPY-WDSKDSINSA-N
XLogP0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 141143444) is (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is NC(=O)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UAUSQNHMIRQGPY-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(12)10-5-1-2-6(10)4-7(11)3-5/h5-7,11H,1-4H2,(H2,9,12)/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 141143444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).