3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid

C8H13NO3 — CID 105434705

IUPAC3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILESO=C(O)C1C(O)CN2CCC1C2
InChIInChI=1S/C8H13NO3/c10-6-4-9-2-1-5(3-9)7(6)8(11)12/h5-7,10H,1-4H2,(H,11,12)
InChIKeyNEWOMGOZFYSDQC-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.62
Rot. Bonds1

About 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid

3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid (PubChem CID 105434705) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid
PubChem CID105434705
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILESO=C(O)C1C(O)CN2CCC1C2
InChIInChI=1S/C8H13NO3/c10-6-4-9-2-1-5(3-9)7(6)8(11)12/h5-7,10H,1-4H2,(H,11,12)
InChIKeyNEWOMGOZFYSDQC-UHFFFAOYSA-N
XLogP-0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
The IUPAC name of 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid (CID 105434705) is 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid is O=C(O)C1C(O)CN2CCC1C2.
What is the InChIKey of 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
The InChIKey is NEWOMGOZFYSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-4-9-2-1-5(3-9)7(6)8(11)12/h5-7,10H,1-4H2,(H,11,12).
What are the key properties of 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid is sourced from PubChem (CID 105434705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).