3,9-diazaspiro[5.5]undecane-3-carboxylic acid

C10H18N2O2 — CID 66701088

IUPAC3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H18N2O2/c13-9(14)12-7-3-10(4-8-12)1-5-11-6-2-10/h11H,1-8H2,(H,13,14)
InChIKeyPBYPGZHIAKLYFN-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.13
Rot. Bonds

About 3,9-diazaspiro[5.5]undecane-3-carboxylic acid

3,9-diazaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66701088) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66701088
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H18N2O2/c13-9(14)12-7-3-10(4-8-12)1-5-11-6-2-10/h11H,1-8H2,(H,13,14)
InChIKeyPBYPGZHIAKLYFN-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 3,9-diazaspiro[5.5]undecane-3-carboxylic acid (CID 66701088) is 3,9-diazaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane-3-carboxylic acid is O=C(O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is PBYPGZHIAKLYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9(14)12-7-3-10(4-8-12)1-5-11-6-2-10/h11H,1-8H2,(H,13,14).
What are the key properties of 3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
3,9-diazaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66701088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).