(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

C6H12ClNO2S — CID 21352161

IUPAC(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC1(C)N[C@H](C(=O)O)CS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-6(2)7-4(3-10-6)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H/t4-;/m0./s1
InChIKeyHQMDAVFIGRLKQG-WCCKRBBISA-N
MW197.69 g/mol
LogP0.93
Rot. Bonds1

About (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (PubChem CID 21352161) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
PubChem CID21352161
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC1(C)N[C@H](C(=O)O)CS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-6(2)7-4(3-10-6)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H/t4-;/m0./s1
InChIKeyHQMDAVFIGRLKQG-WCCKRBBISA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Timonacic
CID 9934
L-Thioproline
CID 93176
Procysteine
CID 72390
2-Carboxythiazolidine-4-carboxylic acid
CID 72150
(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
2-Hexyl-4-thiazolidinecarboxylic acid
CID 583513
2-Oxo-1,3-thiazolidine-4-carboxylic acid
CID 65272
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
2-Butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
Timonacic, (S)-
CID 198253
2-Pentyl-1,3-thiazolidine-4-carboxylic acid
CID 432027
2-Methylthiazolidine-4-carboxylic acid
CID 160736

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (CID 21352161) is (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is CC1(C)N[C@H](C(=O)O)CS1.Cl.
What is the InChIKey of (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is HQMDAVFIGRLKQG-WCCKRBBISA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-6(2)7-4(3-10-6)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H/t4-;/m0./s1.
What are the key properties of (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 21352161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).