8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid

C8H13NO3 — CID 130002685

IUPAC8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
SMILESO=C(O)C12CCC(CNC1)C2O
InChIInChI=1S/C8H13NO3/c10-6-5-1-2-8(6,7(11)12)4-9-3-5/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyKUWLTHRPUOBKNV-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.57
Rot. Bonds1

About 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid

8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid (PubChem CID 130002685) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
PubChem CID130002685
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
SMILESO=C(O)C12CCC(CNC1)C2O
InChIInChI=1S/C8H13NO3/c10-6-5-1-2-8(6,7(11)12)4-9-3-5/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyKUWLTHRPUOBKNV-UHFFFAOYSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid?
The IUPAC name of 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid (CID 130002685) is 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid.
What is the SMILES notation for 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid?
The canonical SMILES for 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid is O=C(O)C12CCC(CNC1)C2O.
What is the InChIKey of 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid?
The InChIKey is KUWLTHRPUOBKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-5-1-2-8(6,7(11)12)4-9-3-5/h5-6,9-10H,1-4H2,(H,11,12).
What are the key properties of 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid?
8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid is sourced from PubChem (CID 130002685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).