2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid

C11H18N2O4 — CID 126505930

IUPAC2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid
SMILESO=C(O)N1CCC2(CCCN(C(=O)O)C2)CC1
InChIInChI=1S/C11H18N2O4/c14-9(15)12-6-3-11(4-7-12)2-1-5-13(8-11)10(16)17/h1-8H2,(H,14,15)(H,16,17)
InChIKeyDADOXCFTMWPXBP-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.52
Rot. Bonds

About 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid

2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid (PubChem CID 126505930) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid.

Molecular Properties

Compound Name2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid
PubChem CID126505930
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid
SMILESO=C(O)N1CCC2(CCCN(C(=O)O)C2)CC1
InChIInChI=1S/C11H18N2O4/c14-9(15)12-6-3-11(4-7-12)2-1-5-13(8-11)10(16)17/h1-8H2,(H,14,15)(H,16,17)
InChIKeyDADOXCFTMWPXBP-UHFFFAOYSA-N
XLogP1.52
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234397
9-(2,2-Difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 151063050
4-(5-Azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
CID 172761468
4-(1-Carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid
CID 178182220
9-Butyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66660936
9-Cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66661079
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
4-(1-Carboxypiperidin-4-yl)piperidine-1-carboxylic acid
CID 67217641
2-Tert-butyl-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid
CID 67537691
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid
CID 67547274
4-(2-Piperidin-1-ylethyl)piperidine-1-carboxylic acid
CID 68533612
4-(Piperidin-1-ylmethyl)piperidine-1-carboxylic acid
CID 68535576

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid?
The IUPAC name of 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid (CID 126505930) is 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid.
What is the SMILES notation for 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid?
The canonical SMILES for 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid is O=C(O)N1CCC2(CCCN(C(=O)O)C2)CC1.
What is the InChIKey of 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid?
The InChIKey is DADOXCFTMWPXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-9(15)12-6-3-11(4-7-12)2-1-5-13(8-11)10(16)17/h1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid?
2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid is sourced from PubChem (CID 126505930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).