4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid

C11H14N2O3S — CID 80655752

IUPAC4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(N2CCCC2=O)n1
InChIInChI=1S/C11H14N2O3S/c14-9-4-2-6-13(9)11-12-8(7-17-11)3-1-5-10(15)16/h7H,1-6H2,(H,15,16)
InChIKeyREWLDGPFGPYTBA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.68
Rot. Bonds5

About 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid

4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655752) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655752
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(N2CCCC2=O)n1
InChIInChI=1S/C11H14N2O3S/c14-9-4-2-6-13(9)11-12-8(7-17-11)3-1-5-10(15)16/h7H,1-6H2,(H,15,16)
InChIKeyREWLDGPFGPYTBA-UHFFFAOYSA-N
XLogP1.68
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 114007854
4-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80656687
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 134021655
3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 168704039
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
1-cyanoethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 46609818
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
[2-(benzylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667673
2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667804
1-[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 39967713

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid (CID 80655752) is 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(N2CCCC2=O)n1.
What is the InChIKey of 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is REWLDGPFGPYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-9-4-2-6-13(9)11-12-8(7-17-11)3-1-5-10(15)16/h7H,1-6H2,(H,15,16).
What are the key properties of 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 254.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).