(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid

C5H9NO2S — CID 45084700

IUPAC(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCN1CSC[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2S/c1-6-3-9-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyHAWVIMZLOKHWMU-BYPYZUCNSA-N
MW147.20 g/mol
LogP0.08
Rot. Bonds1

About (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 45084700) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID45084700
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCN1CSC[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2S/c1-6-3-9-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyHAWVIMZLOKHWMU-BYPYZUCNSA-N
XLogP0.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid (CID 45084700) is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid is CN1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HAWVIMZLOKHWMU-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-3-9-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 147.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 45084700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).