7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid

C8H11NO3 — CID 154282569

IUPAC7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid
SMILESO=C(O)N1C(=O)C2CCCC1C2
InChIInChI=1S/C8H11NO3/c10-7-5-2-1-3-6(4-5)9(7)8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyMMBQLBVUICPRPG-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.07
Rot. Bonds

About 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid

7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid (PubChem CID 154282569) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid.

Molecular Properties

Compound Name7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid
PubChem CID154282569
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid
SMILESO=C(O)N1C(=O)C2CCCC1C2
InChIInChI=1S/C8H11NO3/c10-7-5-2-1-3-6(4-5)9(7)8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyMMBQLBVUICPRPG-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid?
The IUPAC name of 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid (CID 154282569) is 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid.
What is the SMILES notation for 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid?
The canonical SMILES for 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid is O=C(O)N1C(=O)C2CCCC1C2.
What is the InChIKey of 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid?
The InChIKey is MMBQLBVUICPRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-5-2-1-3-6(4-5)9(7)8(11)12/h5-6H,1-4H2,(H,11,12).
What are the key properties of 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid?
7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid is sourced from PubChem (CID 154282569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).