3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C12H20N2O4S — CID 43359187

IUPAC3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)11(18)13-5-4-9(15)14-7-19-6-8(14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyOXQZZBNBPVSQFO-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.52
Rot. Bonds4

About 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359187) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359187
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)11(18)13-5-4-9(15)14-7-19-6-8(14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyOXQZZBNBPVSQFO-UHFFFAOYSA-N
XLogP0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359187) is 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)C(=O)NCCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OXQZZBNBPVSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-12(2,3)11(18)13-5-4-9(15)14-7-19-6-8(14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylpropanoylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).