(4R)-1,3-thiazolidine-2,4-dicarboxylic acid

C5H7NO4S — CID 2825749

IUPAC(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1N[C@H](C(=O)O)CS1
InChIInChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3?/m0/s1
InChIKeyDAXBISKSIDBYEU-SCQFTWEKSA-N
MW177.18 g/mol
LogP-0.81
Rot. Bonds2

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

(4R)-1,3-thiazolidine-2,4-dicarboxylic acid (PubChem CID 2825749) has the molecular formula C5H7NO4S and a molecular weight of 177.18 g/mol. Its IUPAC name is (4R)-1,3-thiazolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
PubChem CID2825749
Molecular FormulaC5H7NO4S
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1N[C@H](C(=O)O)CS1
InChIInChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3?/m0/s1
InChIKeyDAXBISKSIDBYEU-SCQFTWEKSA-N
XLogP-0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,3-thiazolidine-2,4-dicarboxylic acid?
The IUPAC name of (4R)-1,3-thiazolidine-2,4-dicarboxylic acid (CID 2825749) is (4R)-1,3-thiazolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (4R)-1,3-thiazolidine-2,4-dicarboxylic acid?
The canonical SMILES for (4R)-1,3-thiazolidine-2,4-dicarboxylic acid is O=C(O)C1N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-1,3-thiazolidine-2,4-dicarboxylic acid?
The InChIKey is DAXBISKSIDBYEU-SCQFTWEKSA-N. The full InChI is InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3?/m0/s1.
What are the key properties of (4R)-1,3-thiazolidine-2,4-dicarboxylic acid?
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid has a molecular weight of 177.18 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3-thiazolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 2825749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).