(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid

C8H8N2O5S — CID 91148715

IUPAC(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CS[C@H](c2cnco2)N1C(=O)O
InChIInChI=1S/C8H8N2O5S/c11-7(12)4-2-16-6(10(4)8(13)14)5-1-9-3-15-5/h1,3-4,6H,2H2,(H,11,12)(H,13,14)/t4?,6-/m1/s1
InChIKeyMRCUUOGZYCBEQA-BAFYGKSASA-N
MW244.23 g/mol
LogP0.85
Rot. Bonds2

About (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid

(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (PubChem CID 91148715) has the molecular formula C8H8N2O5S and a molecular weight of 244.23 g/mol. Its IUPAC name is (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
PubChem CID91148715
Molecular FormulaC8H8N2O5S
Molecular Weight244.23 g/mol
Exact Mass244.02
IUPAC Name(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CS[C@H](c2cnco2)N1C(=O)O
InChIInChI=1S/C8H8N2O5S/c11-7(12)4-2-16-6(10(4)8(13)14)5-1-9-3-15-5/h1,3-4,6H,2H2,(H,11,12)(H,13,14)/t4?,6-/m1/s1
InChIKeyMRCUUOGZYCBEQA-BAFYGKSASA-N
XLogP0.85
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The IUPAC name of (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (CID 91148715) is (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is O=C(O)C1CS[C@H](c2cnco2)N1C(=O)O.
What is the InChIKey of (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The InChIKey is MRCUUOGZYCBEQA-BAFYGKSASA-N. The full InChI is InChI=1S/C8H8N2O5S/c11-7(12)4-2-16-6(10(4)8(13)14)5-1-9-3-15-5/h1,3-4,6H,2H2,(H,11,12)(H,13,14)/t4?,6-/m1/s1.
What are the key properties of (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid has a molecular weight of 244.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 91148715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).