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

C14H21NO4 — CID 79807030

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-3-14(4-2,12(18)19)15-10(16)9-13(11(15)17)7-5-6-8-13/h3-9H2,1-2H3,(H,18,19)
InChIKeyCZHSLXVJUXVUDL-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.95
Rot. Bonds4

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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid (PubChem CID 79807030) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid
PubChem CID79807030
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-3-14(4-2,12(18)19)15-10(16)9-13(11(15)17)7-5-6-8-13/h3-9H2,1-2H3,(H,18,19)
InChIKeyCZHSLXVJUXVUDL-UHFFFAOYSA-N
XLogP1.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.95
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-ethylbutanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid (CID 79807030) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid is CCC(CC)(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-ethylbutanoic acid?
The InChIKey is CZHSLXVJUXVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-14(4-2,12(18)19)15-10(16)9-13(11(15)17)7-5-6-8-13/h3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.95, 4 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-ethylbutanoic acid is sourced from PubChem (CID 79807030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).