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

C6H9NO4S — CID 70680593

IUPAC(2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C[C@@H]1NC(C(=O)O)CS1
InChIInChI=1S/C6H9NO4S/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3?,4-/m1/s1
InChIKeyWVHJAFASIMQEPY-SRBOSORUSA-N
MW191.21 g/mol
LogP-0.42
Rot. Bonds3

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

(2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 70680593) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID70680593
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name(2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C[C@@H]1NC(C(=O)O)CS1
InChIInChI=1S/C6H9NO4S/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3?,4-/m1/s1
InChIKeyWVHJAFASIMQEPY-SRBOSORUSA-N
XLogP-0.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(carboxymethyl)-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

Related Compounds

Timonacic
CID 9934
L-Thioproline
CID 93176
2-Carboxythiazolidine-4-carboxylic acid
CID 72150
(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
2-Butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
Timonacic, (S)-
CID 198253
2-Methylthiazolidine-4-carboxylic acid
CID 160736
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
(2~{r},4~{r})-1,3-Thiazolidine-2,4-Dicarboxylic Acid
CID 1268778
2-Methyl-2,4-thiazolidinedicarboxylic acid
CID 98342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid (CID 70680593) is (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C[C@@H]1NC(C(=O)O)CS1.
What is the InChIKey of (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WVHJAFASIMQEPY-SRBOSORUSA-N. The full InChI is InChI=1S/C6H9NO4S/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3?,4-/m1/s1.
What are the key properties of (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 191.21 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 70680593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).