4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid

C14H16N2O4S — CID 103979360

IUPAC4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(N2C(=O)C3CCCC3C2=O)n1
InChIInChI=1S/C14H16N2O4S/c17-11(18)6-1-3-8-7-21-14(15-8)16-12(19)9-4-2-5-10(9)13(16)20/h7,9-10H,1-6H2,(H,17,18)
InChIKeySSYUUORBYZPHRO-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.84
Rot. Bonds5

About 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid

4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 103979360) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid
PubChem CID103979360
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(N2C(=O)C3CCCC3C2=O)n1
InChIInChI=1S/C14H16N2O4S/c17-11(18)6-1-3-8-7-21-14(15-8)16-12(19)9-4-2-5-10(9)13(16)20/h7,9-10H,1-6H2,(H,17,18)
InChIKeySSYUUORBYZPHRO-UHFFFAOYSA-N
XLogP1.84
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 114007854
4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80655752
4-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80656687
3-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487248
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 168704039
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
CID 80655149
4-[2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656279
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
3-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]propanoic acid
CID 103486642

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid (CID 103979360) is 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(N2C(=O)C3CCCC3C2=O)n1.
What is the InChIKey of 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is SSYUUORBYZPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-11(18)6-1-3-8-7-21-14(15-8)16-12(19)9-4-2-5-10(9)13(16)20/h7,9-10H,1-6H2,(H,17,18).
What are the key properties of 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 308.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 103979360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).