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

C17H19NO4 — CID 54773487

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C17H19NO4/c19-14-11-17(8-4-5-9-17)16(22)18(14)13(15(20)21)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,20,21)
InChIKeyBIWYGSFMZHDGCK-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.00
Rot. Bonds4

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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid (PubChem CID 54773487) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
PubChem CID54773487
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C17H19NO4/c19-14-11-17(8-4-5-9-17)16(22)18(14)13(15(20)21)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,20,21)
InChIKeyBIWYGSFMZHDGCK-UHFFFAOYSA-N
XLogP2.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.00
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)-3-phenylpropanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid (CID 54773487) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid?
The InChIKey is BIWYGSFMZHDGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-14-11-17(8-4-5-9-17)16(22)18(14)13(15(20)21)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,20,21).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.00, 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)-3-phenylpropanoic acid is sourced from PubChem (CID 54773487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).