methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate

C6H11NO2S — CID 45082403

IUPACmethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)N1
InChIInChI=1S/C6H11NO2S/c1-4-7-5(3-10-4)6(8)9-2/h4-5,7H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeySIHORGCAHLFPHD-AKGZTFGVSA-N
MW161.23 g/mol
LogP0.21
Rot. Bonds1

About methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate

methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 45082403) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID45082403
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Namemethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)N1
InChIInChI=1S/C6H11NO2S/c1-4-7-5(3-10-4)6(8)9-2/h4-5,7H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeySIHORGCAHLFPHD-AKGZTFGVSA-N
XLogP0.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
Thiazolidine-4-carboxylic acid, sodium salt
CID 23686667
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
ethyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate
CID 477571
2-Methylthiazolidine-4-carboxylic acid
CID 160736
(R)-1,3-Thiazolidin-3-ium-4-carboxylate
CID 6973609
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiaproline zwitterion
CID 5081328
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
2,2-Dimethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride
CID 16263005
Methyl thiazolidine-2-carboxylate hydrochloride
CID 2737506

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate (CID 45082403) is methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(C)N1.
What is the InChIKey of methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is SIHORGCAHLFPHD-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-7-5(3-10-4)6(8)9-2/h4-5,7H,3H2,1-2H3/t4?,5-/m0/s1.
What are the key properties of methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate?
methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 161.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 45082403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).