8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid

C10H17NO2 — CID 115016482

IUPAC8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
SMILESNCC1C2CCC1CC(C(=O)O)C2
InChIInChI=1S/C10H17NO2/c11-5-9-6-1-2-7(9)4-8(3-6)10(12)13/h6-9H,1-5,11H2,(H,12,13)
InChIKeyZIWPOAUYRSVWNA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds2

About 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid

8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 115016482) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID115016482
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
SMILESNCC1C2CCC1CC(C(=O)O)C2
InChIInChI=1S/C10H17NO2/c11-5-9-6-1-2-7(9)4-8(3-6)10(12)13/h6-9H,1-5,11H2,(H,12,13)
InChIKeyZIWPOAUYRSVWNA-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(aminomethyl)bicyclo[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-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid (CID 115016482) is 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid is NCC1C2CCC1CC(C(=O)O)C2.
What is the InChIKey of 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is ZIWPOAUYRSVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-5-9-6-1-2-7(9)4-8(3-6)10(12)13/h6-9H,1-5,11H2,(H,12,13).
What are the key properties of 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid?
8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 115016482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).