(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid

C4H7NO4S — CID 127031255

IUPAC(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS(=O)(=O)CN1
InChIInChI=1S/C4H7NO4S/c6-4(7)3-1-10(8,9)2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyIQKRCFGHLYXUOY-VKHMYHEASA-N
MW165.17 g/mol
LogP-1.58
Rot. Bonds1

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

(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid (PubChem CID 127031255) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
PubChem CID127031255
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC Name(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS(=O)(=O)CN1
InChIInChI=1S/C4H7NO4S/c6-4(7)3-1-10(8,9)2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyIQKRCFGHLYXUOY-VKHMYHEASA-N
XLogP-1.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid (CID 127031255) is (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS(=O)(=O)CN1.
What is the InChIKey of (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IQKRCFGHLYXUOY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO4S/c6-4(7)3-1-10(8,9)2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?
(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 165.17 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 127031255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).