2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid

C14H16N2O4S — CID 61070368

IUPAC2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N2C(=O)CC3(CCCC3)CC2=O)n1
InChIInChI=1S/C14H16N2O4S/c17-10-6-14(3-1-2-4-14)7-11(18)16(10)13-15-9(8-21-13)5-12(19)20/h8H,1-7H2,(H,19,20)
InChIKeyAQFKGYNUOIBPCY-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.98
Rot. Bonds3

About 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 61070368) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID61070368
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N2C(=O)CC3(CCCC3)CC2=O)n1
InChIInChI=1S/C14H16N2O4S/c17-10-6-14(3-1-2-4-14)7-11(18)16(10)13-15-9(8-21-13)5-12(19)20/h8H,1-7H2,(H,19,20)
InChIKeyAQFKGYNUOIBPCY-UHFFFAOYSA-N
XLogP1.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
CID 80575369
4-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80656687
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 16793348
2-[2-[3-(2,5-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 43861057
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575566
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576560
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid (CID 61070368) is 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(N2C(=O)CC3(CCCC3)CC2=O)n1.
What is the InChIKey of 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AQFKGYNUOIBPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-10-6-14(3-1-2-4-14)7-11(18)16(10)13-15-9(8-21-13)5-12(19)20/h8H,1-7H2,(H,19,20).
What are the key properties of 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 308.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 61070368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).