2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid

C13H21NO3 — CID 79694800

IUPAC2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CC2(CCOCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(16)10-2-1-3-11(10)14-8-13(9-14)4-6-17-7-5-13/h10-11H,1-9H2,(H,15,16)
InChIKeyFGIKFINQFZFXHF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.35
Rot. Bonds2

About 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid

2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 79694800) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid
PubChem CID79694800
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CC2(CCOCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(16)10-2-1-3-11(10)14-8-13(9-14)4-6-17-7-5-13/h10-11H,1-9H2,(H,15,16)
InChIKeyFGIKFINQFZFXHF-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-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 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid (CID 79694800) is 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CC2(CCOCC2)C1.
What is the InChIKey of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is FGIKFINQFZFXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(16)10-2-1-3-11(10)14-8-13(9-14)4-6-17-7-5-13/h10-11H,1-9H2,(H,15,16).
What are the key properties of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid?
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79694800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).