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

C14H15NO4S — CID 115284392

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H15NO4S/c16-10-8-14(5-1-2-6-14)13(19)15(10)11(12(17)18)9-4-3-7-20-9/h3-4,7,11H,1-2,5-6,8H2,(H,17,18)
InChIKeyBHVMKMHLSLBXBK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.19
Rot. Bonds3

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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid (PubChem CID 115284392) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid
PubChem CID115284392
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H15NO4S/c16-10-8-14(5-1-2-6-14)13(19)15(10)11(12(17)18)9-4-3-7-20-9/h3-4,7,11H,1-2,5-6,8H2,(H,17,18)
InChIKeyBHVMKMHLSLBXBK-UHFFFAOYSA-N
XLogP2.19
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 113278959
(2S)-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-(1H-indol-3-yl)propanoic acid
CID 129369187
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131
9-(1-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963817
4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
CID 107835367
2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid
CID 90708458
2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60977143
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 62092760
2-(1-hydroxy-3-methylbutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79244706
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
CID 131000852
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid (CID 115284392) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid is O=C(O)C(c1cccs1)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid?
The InChIKey is BHVMKMHLSLBXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-10-8-14(5-1-2-6-14)13(19)15(10)11(12(17)18)9-4-3-7-20-9/h3-4,7,11H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).