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

C7H11NO4S — CID 7214349

IUPAC(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
SMILESCC1(C)S[C@H](C(=O)O)N[C@H]1C(=O)O
InChIInChI=1S/C7H11NO4S/c1-7(2)3(5(9)10)8-4(13-7)6(11)12/h3-4,8H,1-2H3,(H,9,10)(H,11,12)/t3-,4+/m0/s1
InChIKeyHTHNEPWLOCHROG-IUYQGCFVSA-N
MW205.23 g/mol
LogP-0.03
Rot. Bonds2

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

(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid (PubChem CID 7214349) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
PubChem CID7214349
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
SMILESCC1(C)S[C@H](C(=O)O)N[C@H]1C(=O)O
InChIInChI=1S/C7H11NO4S/c1-7(2)3(5(9)10)8-4(13-7)6(11)12/h3-4,8H,1-2H3,(H,9,10)(H,11,12)/t3-,4+/m0/s1
InChIKeyHTHNEPWLOCHROG-IUYQGCFVSA-N
XLogP-0.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid (CID 7214349) is (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid is CC1(C)S[C@H](C(=O)O)N[C@H]1C(=O)O.
What is the InChIKey of (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
The InChIKey is HTHNEPWLOCHROG-IUYQGCFVSA-N. The full InChI is InChI=1S/C7H11NO4S/c1-7(2)3(5(9)10)8-4(13-7)6(11)12/h3-4,8H,1-2H3,(H,9,10)(H,11,12)/t3-,4+/m0/s1.
What are the key properties of (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid?
(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 7214349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).