7-azaspiro[3.5]nonane-2,2-dicarboxylic acid

C10H15NO4 — CID 171616825

IUPAC7-azaspiro[3.5]nonane-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC2(CCNCC2)C1
InChIInChI=1S/C10H15NO4/c12-7(13)10(8(14)15)5-9(6-10)1-3-11-4-2-9/h11H,1-6H2,(H,12,13)(H,14,15)
InChIKeyWRRFYUAVSYRTEP-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.31
Rot. Bonds2

About 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid

7-azaspiro[3.5]nonane-2,2-dicarboxylic acid (PubChem CID 171616825) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid.

Molecular Properties

Compound Name7-azaspiro[3.5]nonane-2,2-dicarboxylic acid
PubChem CID171616825
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name7-azaspiro[3.5]nonane-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC2(CCNCC2)C1
InChIInChI=1S/C10H15NO4/c12-7(13)10(8(14)15)5-9(6-10)1-3-11-4-2-9/h11H,1-6H2,(H,12,13)(H,14,15)
InChIKeyWRRFYUAVSYRTEP-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid?
The IUPAC name of 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid (CID 171616825) is 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid.
What is the SMILES notation for 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid?
The canonical SMILES for 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid is O=C(O)C1(C(=O)O)CC2(CCNCC2)C1.
What is the InChIKey of 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid?
The InChIKey is WRRFYUAVSYRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-7(13)10(8(14)15)5-9(6-10)1-3-11-4-2-9/h11H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid?
7-azaspiro[3.5]nonane-2,2-dicarboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonane-2,2-dicarboxylic acid is sourced from PubChem (CID 171616825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).