(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid

C10H17NO3S — CID 130455241

IUPAC(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N1[C@H](C(=O)O)C(C)(C)SC1(C)C
InChIInChI=1S/C10H17NO3S/c1-6(12)11-7(8(13)14)9(2,3)15-10(11,4)5/h7H,1-5H3,(H,13,14)/t7-/m1/s1
InChIKeyKTYJPGBSSZMGBH-SSDOTTSWSA-N
MW231.32 g/mol
LogP1.55
Rot. Bonds1

About (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 130455241) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID130455241
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N1[C@H](C(=O)O)C(C)(C)SC1(C)C
InChIInChI=1S/C10H17NO3S/c1-6(12)11-7(8(13)14)9(2,3)15-10(11,4)5/h7H,1-5H3,(H,13,14)/t7-/m1/s1
InChIKeyKTYJPGBSSZMGBH-SSDOTTSWSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid (CID 130455241) is (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid is CC(=O)N1[C@H](C(=O)O)C(C)(C)SC1(C)C.
What is the InChIKey of (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KTYJPGBSSZMGBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-6(12)11-7(8(13)14)9(2,3)15-10(11,4)5/h7H,1-5H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 130455241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).