1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid

C15H24N2O4S — CID 119354306

IUPAC1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)6-12(18)17-9-22-8-11(17)13(19)16-5-4-10(7-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyYMEBPMRIIHOHQA-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.26
Rot. Bonds3

About 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid

1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354306) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119354306
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)6-12(18)17-9-22-8-11(17)13(19)16-5-4-10(7-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyYMEBPMRIIHOHQA-UHFFFAOYSA-N
XLogP1.26
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic 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

3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119167612
ethyl 2-[4-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 146088892
1-[4-(4-benzhydrylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 42749085
(3aS,7aS)-2-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626745
1-[4-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 86895677
1-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 119485277
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
CID 58364462
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
1-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119539246

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 119354306) is 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid is CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YMEBPMRIIHOHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)6-12(18)17-9-22-8-11(17)13(19)16-5-4-10(7-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid?
1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 328.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).