1-azabicyclo[4.2.0]octane-7-carboxylic acid

C8H13NO2 — CID 82651829

IUPAC1-azabicyclo[4.2.0]octane-7-carboxylic acid
SMILESO=C(O)C1CN2CCCCC12
InChIInChI=1S/C8H13NO2/c10-8(11)6-5-9-4-2-1-3-7(6)9/h6-7H,1-5H2,(H,10,11)
InChIKeyINEROYILNSHBLD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.56
Rot. Bonds1

About 1-azabicyclo[4.2.0]octane-7-carboxylic acid

1-azabicyclo[4.2.0]octane-7-carboxylic acid (PubChem CID 82651829) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-azabicyclo[4.2.0]octane-7-carboxylic acid.

Molecular Properties

Compound Name1-azabicyclo[4.2.0]octane-7-carboxylic acid
PubChem CID82651829
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-azabicyclo[4.2.0]octane-7-carboxylic acid
SMILESO=C(O)C1CN2CCCCC12
InChIInChI=1S/C8H13NO2/c10-8(11)6-5-9-4-2-1-3-7(6)9/h6-7H,1-5H2,(H,10,11)
InChIKeyINEROYILNSHBLD-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[4.2.0]octane-7-carboxylic acid?
The IUPAC name of 1-azabicyclo[4.2.0]octane-7-carboxylic acid (CID 82651829) is 1-azabicyclo[4.2.0]octane-7-carboxylic acid.
What is the SMILES notation for 1-azabicyclo[4.2.0]octane-7-carboxylic acid?
The canonical SMILES for 1-azabicyclo[4.2.0]octane-7-carboxylic acid is O=C(O)C1CN2CCCCC12.
What is the InChIKey of 1-azabicyclo[4.2.0]octane-7-carboxylic acid?
The InChIKey is INEROYILNSHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)6-5-9-4-2-1-3-7(6)9/h6-7H,1-5H2,(H,10,11).
What are the key properties of 1-azabicyclo[4.2.0]octane-7-carboxylic acid?
1-azabicyclo[4.2.0]octane-7-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[4.2.0]octane-7-carboxylic acid is sourced from PubChem (CID 82651829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).