2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid

C12H17NO4 — CID 61263949

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H17NO4/c1-11(2,10(16)17)13-8(14)7-12(9(13)15)5-3-4-6-12/h3-7H2,1-2H3,(H,16,17)
InChIKeyICJMNMGGIIOXJK-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.17
Rot. Bonds2

About 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid (PubChem CID 61263949) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid
PubChem CID61263949
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H17NO4/c1-11(2,10(16)17)13-8(14)7-12(9(13)15)5-3-4-6-12/h3-7H2,1-2H3,(H,16,17)
InChIKeyICJMNMGGIIOXJK-UHFFFAOYSA-N
XLogP1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid (CID 61263949) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid?
The InChIKey is ICJMNMGGIIOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-11(2,10(16)17)13-8(14)7-12(9(13)15)5-3-4-6-12/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 61263949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).