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

C12H17NO4 — CID 43415425

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H17NO4/c1-2-8(10(15)16)13-9(14)7-12(11(13)17)5-3-4-6-12/h8H,2-7H2,1H3,(H,15,16)
InChIKeyJXICWQLZXKABLV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.17
Rot. Bonds3

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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid (PubChem CID 43415425) 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)butanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid
PubChem CID43415425
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H17NO4/c1-2-8(10(15)16)13-9(14)7-12(11(13)17)5-3-4-6-12/h8H,2-7H2,1H3,(H,15,16)
InChIKeyJXICWQLZXKABLV-UHFFFAOYSA-N
XLogP1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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)butanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid (CID 43415425) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid is CCC(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)butanoic acid?
The InChIKey is JXICWQLZXKABLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-8(10(15)16)13-9(14)7-12(11(13)17)5-3-4-6-12/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.17, 3 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)butanoic acid is sourced from PubChem (CID 43415425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).