8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid

C9H13NO3 — CID 118977842

IUPAC8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=CC1C2CCC1CN(C(=O)O)C2
InChIInChI=1S/C9H13NO3/c11-5-8-6-1-2-7(8)4-10(3-6)9(12)13/h5-8H,1-4H2,(H,12,13)
InChIKeyMIWAMPALRAQZBX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.82
Rot. Bonds1

About 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid

8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 118977842) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID118977842
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=CC1C2CCC1CN(C(=O)O)C2
InChIInChI=1S/C9H13NO3/c11-5-8-6-1-2-7(8)4-10(3-6)9(12)13/h5-8H,1-4H2,(H,12,13)
InChIKeyMIWAMPALRAQZBX-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 118977842) is 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid is O=CC1C2CCC1CN(C(=O)O)C2.
What is the InChIKey of 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is MIWAMPALRAQZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-5-8-6-1-2-7(8)4-10(3-6)9(12)13/h5-8H,1-4H2,(H,12,13).
What are the key properties of 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 118977842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).