2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid

C9H12N2O4 — CID 4996089

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13)
InChIKeyWPJKWNMXALXUTR-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.06
Rot. Bonds2

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (PubChem CID 4996089) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid
PubChem CID4996089
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13)
InChIKeyWPJKWNMXALXUTR-UHFFFAOYSA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (CID 4996089) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid is O=C(O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid?
The InChIKey is WPJKWNMXALXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid is sourced from PubChem (CID 4996089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).