3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid

C7H12N2O2 — CID 67019886

IUPAC3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CCC(C1)N2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-3-5-1-2-6(4-9)8-5/h5-6,8H,1-4H2,(H,10,11)
InChIKeyJZVXLLNKARSSBL-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.10
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid

3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 67019886) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID67019886
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CCC(C1)N2
InChIInChI=1S/C7H12N2O2/c10-7(11)9-3-5-1-2-6(4-9)8-5/h5-6,8H,1-4H2,(H,10,11)
InChIKeyJZVXLLNKARSSBL-UHFFFAOYSA-N
XLogP0.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (CID 67019886) is 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)N1CC2CCC(C1)N2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is JZVXLLNKARSSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)9-3-5-1-2-6(4-9)8-5/h5-6,8H,1-4H2,(H,10,11).
What are the key properties of 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?
3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 67019886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).