1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid

C8H13N3O2 — CID 154466886

IUPAC1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN=CN2
InChIInChI=1S/C8H13N3O2/c12-7(13)11-3-1-8(2-4-11)5-9-6-10-8/h6H,1-5H2,(H,9,10)(H,12,13)
InChIKeyFICSHIMSTQYHQT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.13
Rot. Bonds

About 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid

1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid (PubChem CID 154466886) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid.

Molecular Properties

Compound Name1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid
PubChem CID154466886
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN=CN2
InChIInChI=1S/C8H13N3O2/c12-7(13)11-3-1-8(2-4-11)5-9-6-10-8/h6H,1-5H2,(H,9,10)(H,12,13)
InChIKeyFICSHIMSTQYHQT-UHFFFAOYSA-N
XLogP0.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid?
The IUPAC name of 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid (CID 154466886) is 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid.
What is the SMILES notation for 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid?
The canonical SMILES for 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid is O=C(O)N1CCC2(CC1)CN=CN2.
What is the InChIKey of 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid?
The InChIKey is FICSHIMSTQYHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-7(13)11-3-1-8(2-4-11)5-9-6-10-8/h6H,1-5H2,(H,9,10)(H,12,13).
What are the key properties of 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid?
1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid is sourced from PubChem (CID 154466886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).