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

C10H14N2O4 — CID 2998413

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H14N2O4/c13-7(14)3-6-12-8(15)10(11-9(12)16)4-1-2-5-10/h1-6H2,(H,11,16)(H,13,14)
InChIKeyMFINOZHKRKAUEO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.33
Rot. Bonds3

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid (PubChem CID 2998413) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
PubChem CID2998413
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H14N2O4/c13-7(14)3-6-12-8(15)10(11-9(12)16)4-1-2-5-10/h1-6H2,(H,11,16)(H,13,14)
InChIKeyMFINOZHKRKAUEO-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
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 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid (CID 2998413) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid is O=C(O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
The InChIKey is MFINOZHKRKAUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-7(14)3-6-12-8(15)10(11-9(12)16)4-1-2-5-10/h1-6H2,(H,11,16)(H,13,14).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid is sourced from PubChem (CID 2998413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).