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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Related Compounds

(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
(2S)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-(1H-indol-3-yl)propanoic acid
CID 129369185
2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63764615
(2S)-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-(1H-indol-3-yl)propanoic acid
CID 129369187
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 115284392
2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687456
2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 163920769
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
3-phenyl-2-(4,5,6,7-tetraiodo-1,3-dioxoisoindol-2-yl)propanoic acid
CID 12988107
2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
CID 10105471

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).