2,8-diazaspiro[4.5]decane-8-carboxylic acid

C9H16N2O2 — CID 21109162

IUPAC2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCNC2)CC1
InChIInChI=1S/C9H16N2O2/c12-8(13)11-5-2-9(3-6-11)1-4-10-7-9/h10H,1-7H2,(H,12,13)
InChIKeyUTFWFBFVQSIBOB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.74
Rot. Bonds

About 2,8-diazaspiro[4.5]decane-8-carboxylic acid

2,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 21109162) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID21109162
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCNC2)CC1
InChIInChI=1S/C9H16N2O2/c12-8(13)11-5-2-9(3-6-11)1-4-10-7-9/h10H,1-7H2,(H,12,13)
InChIKeyUTFWFBFVQSIBOB-UHFFFAOYSA-N
XLogP0.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 21109162) is 2,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2,8-diazaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CCNC2)CC1.
What is the InChIKey of 2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is UTFWFBFVQSIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8(13)11-5-2-9(3-6-11)1-4-10-7-9/h10H,1-7H2,(H,12,13).
What are the key properties of 2,8-diazaspiro[4.5]decane-8-carboxylic acid?
2,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 21109162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).