2-azaspiro[4.5]decane-3-carboxylic acid

C10H17NO2 — CID 13217353

IUPAC2-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCCCC2)CN1
InChIInChI=1S/C10H17NO2/c12-9(13)8-6-10(7-11-8)4-2-1-3-5-10/h8,11H,1-7H2,(H,12,13)
InChIKeyQATSWWZBTBBYRX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds1

About 2-azaspiro[4.5]decane-3-carboxylic acid

2-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 13217353) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID13217353
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCCCC2)CN1
InChIInChI=1S/C10H17NO2/c12-9(13)8-6-10(7-11-8)4-2-1-3-5-10/h8,11H,1-7H2,(H,12,13)
InChIKeyQATSWWZBTBBYRX-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-azaspiro[4.5]decane-3-carboxylic acid (CID 13217353) is 2-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCCCC2)CN1.
What is the InChIKey of 2-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is QATSWWZBTBBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(13)8-6-10(7-11-8)4-2-1-3-5-10/h8,11H,1-7H2,(H,12,13).
What are the key properties of 2-azaspiro[4.5]decane-3-carboxylic acid?
2-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 13217353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).