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

C8H15NO2S — CID 688362

IUPAC(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-7(2)5(6(10)11)9-8(3,4)12-7/h5,9H,1-4H3,(H,10,11)/t5-/m0/s1
InChIKeyILJCRVOHKUEEIW-YFKPBYRVSA-N
MW189.28 g/mol
LogP1.29
Rot. Bonds1

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

(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 688362) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID688362
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-7(2)5(6(10)11)9-8(3,4)12-7/h5,9H,1-4H3,(H,10,11)/t5-/m0/s1
InChIKeyILJCRVOHKUEEIW-YFKPBYRVSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
5,5-dimethylthiazolidine-4-carboxylic acid, (R)-
CID 5715192
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
2-Butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
5,5-Dimethyl-4-thiazolidinecarboxylic acid
CID 85822
2-Methylthiazolidine-4-carboxylic acid
CID 160736
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(trifluoromethyl)-
CID 207930
4-Thiazolidinecarboxylic acid, 2-(2-(dimethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069931
4-Thiazolidinecarboxylic acid, 2-(2-(diethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069937

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid (CID 688362) is (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)N[C@@H](C(=O)O)C(C)(C)S1.
What is the InChIKey of (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ILJCRVOHKUEEIW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(2)5(6(10)11)9-8(3,4)12-7/h5,9H,1-4H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 189.28 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 688362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).