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

C13H17NO4 — CID 81163784

IUPAC1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCC1
InChIInChI=1S/C13H17NO4/c15-9-8-12(4-1-2-5-12)10(16)14(9)13(11(17)18)6-3-7-13/h1-8H2,(H,17,18)
InChIKeyITXWKSSJGYZWGF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.31
Rot. Bonds2

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

1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 81163784) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid
PubChem CID81163784
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCC1
InChIInChI=1S/C13H17NO4/c15-9-8-12(4-1-2-5-12)10(16)14(9)13(11(17)18)6-3-7-13/h1-8H2,(H,17,18)
InChIKeyITXWKSSJGYZWGF-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.31
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 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid (CID 81163784) is 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid is O=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCC1.
What is the InChIKey of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ITXWKSSJGYZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-9-8-12(4-1-2-5-12)10(16)14(9)13(11(17)18)6-3-7-13/h1-8H2,(H,17,18).
What are the key properties of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid?
1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).