2-azaspiro[4.5]decane-2,4-dicarboxylic acid

C11H17NO4 — CID 18388348

IUPAC2-azaspiro[4.5]decane-2,4-dicarboxylic acid
SMILESO=C(O)C1CN(C(=O)O)CC12CCCCC2
InChIInChI=1S/C11H17NO4/c13-9(14)8-6-12(10(15)16)7-11(8)4-2-1-3-5-11/h8H,1-7H2,(H,13,14)(H,15,16)
InChIKeyXAJVCWHCRHRNGO-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.63
Rot. Bonds1

About 2-azaspiro[4.5]decane-2,4-dicarboxylic acid

2-azaspiro[4.5]decane-2,4-dicarboxylic acid (PubChem CID 18388348) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane-2,4-dicarboxylic acid.

Molecular Properties

Compound Name2-azaspiro[4.5]decane-2,4-dicarboxylic acid
PubChem CID18388348
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-azaspiro[4.5]decane-2,4-dicarboxylic acid
SMILESO=C(O)C1CN(C(=O)O)CC12CCCCC2
InChIInChI=1S/C11H17NO4/c13-9(14)8-6-12(10(15)16)7-11(8)4-2-1-3-5-11/h8H,1-7H2,(H,13,14)(H,15,16)
InChIKeyXAJVCWHCRHRNGO-UHFFFAOYSA-N
XLogP1.63
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.63
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-2,4-dicarboxylic acid?
The IUPAC name of 2-azaspiro[4.5]decane-2,4-dicarboxylic acid (CID 18388348) is 2-azaspiro[4.5]decane-2,4-dicarboxylic acid.
What is the SMILES notation for 2-azaspiro[4.5]decane-2,4-dicarboxylic acid?
The canonical SMILES for 2-azaspiro[4.5]decane-2,4-dicarboxylic acid is O=C(O)C1CN(C(=O)O)CC12CCCCC2.
What is the InChIKey of 2-azaspiro[4.5]decane-2,4-dicarboxylic acid?
The InChIKey is XAJVCWHCRHRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-9(14)8-6-12(10(15)16)7-11(8)4-2-1-3-5-11/h8H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-azaspiro[4.5]decane-2,4-dicarboxylic acid?
2-azaspiro[4.5]decane-2,4-dicarboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.63, 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-2,4-dicarboxylic acid is sourced from PubChem (CID 18388348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).