4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid

C15H25NO3 — CID 113310310

IUPAC4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CCCCC3)C2)CCOCC1
InChIInChI=1S/C15H25NO3/c17-13(18)15(6-8-19-9-7-15)12-16-10-14(11-16)4-2-1-3-5-14/h1-12H2,(H,17,18)
InChIKeyDJHLIOUFLMXBQN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds3

About 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid

4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid (PubChem CID 113310310) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
PubChem CID113310310
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CCCCC3)C2)CCOCC1
InChIInChI=1S/C15H25NO3/c17-13(18)15(6-8-19-9-7-15)12-16-10-14(11-16)4-2-1-3-5-14/h1-12H2,(H,17,18)
InChIKeyDJHLIOUFLMXBQN-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-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 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid (CID 113310310) is 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid is O=C(O)C1(CN2CC3(CCCCC3)C2)CCOCC1.
What is the InChIKey of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid?
The InChIKey is DJHLIOUFLMXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(18)15(6-8-19-9-7-15)12-16-10-14(11-16)4-2-1-3-5-14/h1-12H2,(H,17,18).
What are the key properties of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid?
4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid is sourced from PubChem (CID 113310310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).