2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid

C9H12N2O4 — CID 11977427

IUPAC2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1NC(=O)C2(CCC(C(=O)O)CC2)N1
InChIInChI=1S/C9H12N2O4/c12-6(13)5-1-3-9(4-2-5)7(14)10-8(15)11-9/h5H,1-4H2,(H,12,13)(H2,10,11,14,15)
InChIKeyGYCQWMQONISFGK-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.16
Rot. Bonds1

About 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid

2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 11977427) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID11977427
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1NC(=O)C2(CCC(C(=O)O)CC2)N1
InChIInChI=1S/C9H12N2O4/c12-6(13)5-1-3-9(4-2-5)7(14)10-8(15)11-9/h5H,1-4H2,(H,12,13)(H2,10,11,14,15)
InChIKeyGYCQWMQONISFGK-UHFFFAOYSA-N
XLogP-0.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid (CID 11977427) is 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid is O=C1NC(=O)C2(CCC(C(=O)O)CC2)N1.
What is the InChIKey of 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is GYCQWMQONISFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-6(13)5-1-3-9(4-2-5)7(14)10-8(15)11-9/h5H,1-4H2,(H,12,13)(H2,10,11,14,15).
What are the key properties of 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid?
2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 11977427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).