1,2-diazaspiro[5.5]undecane-9-carboxylic acid

C10H18N2O2 — CID 118064037

IUPAC1,2-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)C1CCC2(CCCNN2)CC1
InChIInChI=1S/C10H18N2O2/c13-9(14)8-2-5-10(6-3-8)4-1-7-11-12-10/h8,11-12H,1-7H2,(H,13,14)
InChIKeyGIMSDUWHNZWLMZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.89
Rot. Bonds1

About 1,2-diazaspiro[5.5]undecane-9-carboxylic acid

1,2-diazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 118064037) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,2-diazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name1,2-diazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID118064037
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1,2-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)C1CCC2(CCCNN2)CC1
InChIInChI=1S/C10H18N2O2/c13-9(14)8-2-5-10(6-3-8)4-1-7-11-12-10/h8,11-12H,1-7H2,(H,13,14)
InChIKeyGIMSDUWHNZWLMZ-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diazaspiro[5.5]undecane
CID 158449609
2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
CID 174190753
diazepane-5-carboxylic acid
CID 154304765
tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
CID 91033663
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid
CID 176986817
cyclopentanecarboxylic acid
CID 18840
1-azaspiro[2.5]octane-5-carboxylic acid
CID 89350897
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 54557086
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056

Frequently Asked Questions

What is the IUPAC name of 1,2-diazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 1,2-diazaspiro[5.5]undecane-9-carboxylic acid (CID 118064037) is 1,2-diazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 1,2-diazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 1,2-diazaspiro[5.5]undecane-9-carboxylic acid is O=C(O)C1CCC2(CCCNN2)CC1.
What is the InChIKey of 1,2-diazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is GIMSDUWHNZWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9(14)8-2-5-10(6-3-8)4-1-7-11-12-10/h8,11-12H,1-7H2,(H,13,14).
What are the key properties of 1,2-diazaspiro[5.5]undecane-9-carboxylic acid?
1,2-diazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 118064037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).