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

C8H11N3O3 — CID 67440682

IUPAC4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)N=CNC2=O
InChIInChI=1S/C8H11N3O3/c12-6-8(10-5-9-6)1-3-11(4-2-8)7(13)14/h5H,1-4H2,(H,13,14)(H,9,10,12)
InChIKeyVQOKFKCVIRKYIY-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds

About 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid

4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid (PubChem CID 67440682) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
PubChem CID67440682
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)N=CNC2=O
InChIInChI=1S/C8H11N3O3/c12-6-8(10-5-9-6)1-3-11(4-2-8)7(13)14/h5H,1-4H2,(H,13,14)(H,9,10,12)
InChIKeyVQOKFKCVIRKYIY-UHFFFAOYSA-N
XLogP-0.34
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The IUPAC name of 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid (CID 67440682) is 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid.
What is the SMILES notation for 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The canonical SMILES for 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid is O=C(O)N1CCC2(CC1)N=CNC2=O.
What is the InChIKey of 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The InChIKey is VQOKFKCVIRKYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-6-8(10-5-9-6)1-3-11(4-2-8)7(13)14/h5H,1-4H2,(H,13,14)(H,9,10,12).
What are the key properties of 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid is sourced from PubChem (CID 67440682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).