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

C11H17NO5S — CID 90878126

IUPAC(2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CS[C@H](CC2CCOCC2)N1C(=O)O
InChIInChI=1S/C11H17NO5S/c13-10(14)8-6-18-9(12(8)11(15)16)5-7-1-3-17-4-2-7/h7-9H,1-6H2,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyNJOMNASIMKFZNZ-YGPZHTELSA-N
MW275.33 g/mol
LogP1.31
Rot. Bonds3

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

(2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid (PubChem CID 90878126) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid
PubChem CID90878126
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name(2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CS[C@H](CC2CCOCC2)N1C(=O)O
InChIInChI=1S/C11H17NO5S/c13-10(14)8-6-18-9(12(8)11(15)16)5-7-1-3-17-4-2-7/h7-9H,1-6H2,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyNJOMNASIMKFZNZ-YGPZHTELSA-N
XLogP1.31
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The IUPAC name of (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid (CID 90878126) is (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid is O=C(O)C1CS[C@H](CC2CCOCC2)N1C(=O)O.
What is the InChIKey of (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The InChIKey is NJOMNASIMKFZNZ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17NO5S/c13-10(14)8-6-18-9(12(8)11(15)16)5-7-1-3-17-4-2-7/h7-9H,1-6H2,(H,13,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid?
(2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-4-ylmethyl)-1,3-thiazolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 90878126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).