1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid

C10H12N2O5 — CID 150219126

IUPAC1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid
SMILESO=C(O)C1=NC(=O)C2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C10H12N2O5/c13-7(14)6-5-10(8(15)11-6)1-3-12(4-2-10)9(16)17/h1-5H2,(H,13,14)(H,16,17)
InChIKeyFTCHLTBIECDRSO-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.20
Rot. Bonds1

About 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid

1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid (PubChem CID 150219126) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid.

Molecular Properties

Compound Name1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid
PubChem CID150219126
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid
SMILESO=C(O)C1=NC(=O)C2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C10H12N2O5/c13-7(14)6-5-10(8(15)11-6)1-3-12(4-2-10)9(16)17/h1-5H2,(H,13,14)(H,16,17)
InChIKeyFTCHLTBIECDRSO-UHFFFAOYSA-N
XLogP0.20
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid?
The IUPAC name of 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid (CID 150219126) is 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid.
What is the SMILES notation for 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid?
The canonical SMILES for 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid is O=C(O)C1=NC(=O)C2(CCN(C(=O)O)CC2)C1.
What is the InChIKey of 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid?
The InChIKey is FTCHLTBIECDRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-7(14)6-5-10(8(15)11-6)1-3-12(4-2-10)9(16)17/h1-5H2,(H,13,14)(H,16,17).
What are the key properties of 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid?
1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid is sourced from PubChem (CID 150219126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).