(4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

C9H15NO3S — CID 53216162

IUPAC(4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H15NO3S/c1-3-6(2)8(11)10-5-14-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m0/s1
InChIKeyZGNBKHDSWBUSTG-MLWJPKLSSA-N
MW217.29 g/mol
LogP1.02
Rot. Bonds3

About (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53216162) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53216162
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name(4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H15NO3S/c1-3-6(2)8(11)10-5-14-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m0/s1
InChIKeyZGNBKHDSWBUSTG-MLWJPKLSSA-N
XLogP1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-3-(2-methylbutanoyl)-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 (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 53216162) is (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is CCC(C)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZGNBKHDSWBUSTG-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-6(2)8(11)10-5-14-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m0/s1.
What are the key properties of (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53216162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).