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

C8H13NO4S — CID 118987020

IUPAC(2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
SMILESCC1(C)S[C@](C)(C(=O)O)N[C@@H]1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1
InChIKeyVYZKCSMVPAWSBH-SPGJFGJESA-N
MW219.26 g/mol
LogP0.36
Rot. Bonds2

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

(2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid (PubChem CID 118987020) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
PubChem CID118987020
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name(2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
SMILESCC1(C)S[C@](C)(C(=O)O)N[C@@H]1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1
InChIKeyVYZKCSMVPAWSBH-SPGJFGJESA-N
XLogP0.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid (CID 118987020) is (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid is CC1(C)S[C@](C)(C(=O)O)N[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
The InChIKey is VYZKCSMVPAWSBH-SPGJFGJESA-N. The full InChI is InChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1.
What are the key properties of (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
(2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 118987020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).