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

C10H15NO5S — CID 91134555

IUPAC(2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CS[C@H](C2CCOCC2)N1C(=O)O
InChIInChI=1S/C10H15NO5S/c12-9(13)7-5-17-8(11(7)10(14)15)6-1-3-16-4-2-6/h6-8H,1-5H2,(H,12,13)(H,14,15)/t7?,8-/m1/s1
InChIKeyVKCLZWFZTLGRLO-BRFYHDHCSA-N
MW261.30 g/mol
LogP0.92
Rot. Bonds2

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

(2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (PubChem CID 91134555) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
PubChem CID91134555
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name(2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CS[C@H](C2CCOCC2)N1C(=O)O
InChIInChI=1S/C10H15NO5S/c12-9(13)7-5-17-8(11(7)10(14)15)6-1-3-16-4-2-6/h6-8H,1-5H2,(H,12,13)(H,14,15)/t7?,8-/m1/s1
InChIKeyVKCLZWFZTLGRLO-BRFYHDHCSA-N
XLogP0.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.92
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-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The IUPAC name of (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (CID 91134555) is (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is O=C(O)C1CS[C@H](C2CCOCC2)N1C(=O)O.
What is the InChIKey of (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The InChIKey is VKCLZWFZTLGRLO-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H15NO5S/c12-9(13)7-5-17-8(11(7)10(14)15)6-1-3-16-4-2-6/h6-8H,1-5H2,(H,12,13)(H,14,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
(2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 91134555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).