3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

C12H19NO4 — CID 105359953

IUPAC3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCCCC1CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C12H19NO4/c1-2-3-8-6-12(4-5-17-8)7-9(14)13-10(12)11(15)16/h8,10H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFHIQHWNCWDUWFJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds3

About 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359953) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359953
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCCCC1CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C12H19NO4/c1-2-3-8-6-12(4-5-17-8)7-9(14)13-10(12)11(15)16/h8,10H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFHIQHWNCWDUWFJ-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-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 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359953) is 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is CCCC1CC2(CCO1)CC(=O)NC2C(=O)O.
What is the InChIKey of 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is FHIQHWNCWDUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-3-8-6-12(4-5-17-8)7-9(14)13-10(12)11(15)16/h8,10H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).