2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid

C12H19NO3 — CID 175635358

IUPAC2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid
SMILESO=CN1CCCC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H19NO3/c14-9-13-7-1-4-12(8-13)5-2-10(3-6-12)11(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeySJZBJTHPXZIGCJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid

2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 175635358) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid
PubChem CID175635358
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid
SMILESO=CN1CCCC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H19NO3/c14-9-13-7-1-4-12(8-13)5-2-10(3-6-12)11(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeySJZBJTHPXZIGCJ-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid (CID 175635358) is 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid is O=CN1CCCC2(CCC(C(=O)O)CC2)C1.
What is the InChIKey of 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is SJZBJTHPXZIGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-9-13-7-1-4-12(8-13)5-2-10(3-6-12)11(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid?
2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-2-azaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 175635358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).