6-aminospiro[2.5]octane-2-carboxylic acid

C9H15NO2 — CID 84653499

IUPAC6-aminospiro[2.5]octane-2-carboxylic acid
SMILESNC1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C9H15NO2/c10-6-1-3-9(4-2-6)5-7(9)8(11)12/h6-7H,1-5,10H2,(H,11,12)
InChIKeyKXLRGNBENOFKQR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds1

About 6-aminospiro[2.5]octane-2-carboxylic acid

6-aminospiro[2.5]octane-2-carboxylic acid (PubChem CID 84653499) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-aminospiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-aminospiro[2.5]octane-2-carboxylic acid
PubChem CID84653499
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-aminospiro[2.5]octane-2-carboxylic acid
SMILESNC1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C9H15NO2/c10-6-1-3-9(4-2-6)5-7(9)8(11)12/h6-7H,1-5,10H2,(H,11,12)
InChIKeyKXLRGNBENOFKQR-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-aminospiro[2.5]octane-2-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 6-aminospiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-aminospiro[2.5]octane-2-carboxylic acid (CID 84653499) is 6-aminospiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-aminospiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-aminospiro[2.5]octane-2-carboxylic acid is NC1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-aminospiro[2.5]octane-2-carboxylic acid?
The InChIKey is KXLRGNBENOFKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-6-1-3-9(4-2-6)5-7(9)8(11)12/h6-7H,1-5,10H2,(H,11,12).
What are the key properties of 6-aminospiro[2.5]octane-2-carboxylic acid?
6-aminospiro[2.5]octane-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminospiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 84653499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).