methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride

C5H10ClNO2S — CID 110191333

IUPACmethyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride
SMILESCOC(=O)[C@@H]1CSC[NH2+]1.[Cl-]
InChIInChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1
InChIKeyYEFOSJYXVLNYSL-WCCKRBBISA-N
MW183.66 g/mol
LogP-4.20
Rot. Bonds1

About methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride

methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride (PubChem CID 110191333) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride.

Molecular Properties

Compound Namemethyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride
PubChem CID110191333
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Namemethyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride
SMILESCOC(=O)[C@@H]1CSC[NH2+]1.[Cl-]
InChIInChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1
InChIKeyYEFOSJYXVLNYSL-WCCKRBBISA-N
XLogP-4.20
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride
CID 10877481
methyl (2S,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate chloride
CID 10866959
methyl 1,4-dithiepane-6-carboxylate
CID 71745910
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
dimethyl (2R,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 7010165
methyl 4-(methylamino)thiolane-3-carboxylate
CID 83846303
dimethyl (2S,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 28775163
methyl 5-oxo-1,4-thiazepane-3-carboxylate
CID 86246843
dimethyl (2S,5R)-thiolane-2,5-dicarboxylate
CID 13425807
methyl (3R,5S)-5-methylthiomorpholine-3-carboxylate
CID 12858816
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride?
The IUPAC name of methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride (CID 110191333) is methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride.
What is the SMILES notation for methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride?
The canonical SMILES for methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride is COC(=O)[C@@H]1CSC[NH2+]1.[Cl-].
What is the InChIKey of methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride?
The InChIKey is YEFOSJYXVLNYSL-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1.
What are the key properties of methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride?
methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride has a molecular weight of 183.66 g/mol, XLogP of -4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride is sourced from PubChem (CID 110191333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).