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

C7H13NO2S — CID 13448417

IUPACmethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)(C)N1
InChIInChI=1S/C7H13NO2S/c1-7(2)8-5(4-11-7)6(9)10-3/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyAMHPVDWIPMNOSV-YFKPBYRVSA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds1

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

methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 13448417) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID13448417
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Namemethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)(C)N1
InChIInChI=1S/C7H13NO2S/c1-7(2)8-5(4-11-7)6(9)10-3/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyAMHPVDWIPMNOSV-YFKPBYRVSA-N
XLogP0.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
CID 75485453
2-(2,2-dimethyl-1,3-thiazolidine-4-carbonyl)oxyethyl-trimethylazanium
CID 23582199
methyl (3R)-6,6-dimethyl-5-oxothiomorpholine-3-carboxylate
CID 1477501
methyl (2R,4S)-2-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylate
CID 102415936
methyl (3R)-8-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 169318337
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 2,2-dimethyl-3-oxo-1,4-thiazepane-5-carboxylate
CID 14969976
dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate
CID 124629723
methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
dimethyl (2S,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 28775163
dimethyl (2R,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 7010165

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (CID 13448417) is methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(C)(C)N1.
What is the InChIKey of methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is AMHPVDWIPMNOSV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2)8-5(4-11-7)6(9)10-3/h5,8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 175.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 13448417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).