2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid

C11H18N2O2 — CID 174190753

IUPAC2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)CC1(CNN1)C2
InChIInChI=1S/C11H18N2O2/c14-9(15)8-1-3-10(4-2-8)5-11(6-10)7-12-13-11/h8,12-13H,1-7H2,(H,14,15)
InChIKeyURFBTMRNXVPUCV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.89
Rot. Bonds1

About 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid

2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid (PubChem CID 174190753) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid.

Molecular Properties

Compound Name2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
PubChem CID174190753
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)CC1(CNN1)C2
InChIInChI=1S/C11H18N2O2/c14-9(15)8-1-3-10(4-2-8)5-11(6-10)7-12-13-11/h8,12-13H,1-7H2,(H,14,15)
InChIKeyURFBTMRNXVPUCV-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid?
The IUPAC name of 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid (CID 174190753) is 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid.
What is the SMILES notation for 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid?
The canonical SMILES for 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid is O=C(O)C1CCC2(CC1)CC1(CNN1)C2.
What is the InChIKey of 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid?
The InChIKey is URFBTMRNXVPUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-9(15)8-1-3-10(4-2-8)5-11(6-10)7-12-13-11/h8,12-13H,1-7H2,(H,14,15).
What are the key properties of 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid?
2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid has a molecular weight of 210.28 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 2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid is sourced from PubChem (CID 174190753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).