2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid

C13H23NO3 — CID 79695131

IUPAC2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H23NO3/c1-3-4-12(2,11(15)16)14-9-13(10-14)5-7-17-8-6-13/h3-10H2,1-2H3,(H,15,16)
InChIKeyOVYMTYIOFIQWHR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid

2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid (PubChem CID 79695131) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid
PubChem CID79695131
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H23NO3/c1-3-4-12(2,11(15)16)14-9-13(10-14)5-7-17-8-6-13/h3-10H2,1-2H3,(H,15,16)
InChIKeyOVYMTYIOFIQWHR-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic 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-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid (CID 79695131) is 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid is CCCC(C)(C(=O)O)N1CC2(CCOCC2)C1.
What is the InChIKey of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid?
The InChIKey is OVYMTYIOFIQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-4-12(2,11(15)16)14-9-13(10-14)5-7-17-8-6-13/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid?
2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid is sourced from PubChem (CID 79695131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).