1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C9H15NO3 — CID 22224984

IUPAC1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C9H15NO3/c11-8(12)10-5-3-9(4-6-10)2-1-7-13-9/h1-7H2,(H,11,12)
InChIKeyZSXFAAQDOICAAQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.31
Rot. Bonds

About 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 22224984) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID22224984
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C9H15NO3/c11-8(12)10-5-3-9(4-6-10)2-1-7-13-9/h1-7H2,(H,11,12)
InChIKeyZSXFAAQDOICAAQ-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 22224984) is 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is ZSXFAAQDOICAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)10-5-3-9(4-6-10)2-1-7-13-9/h1-7H2,(H,11,12).
What are the key properties of 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 22224984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).