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

C9H15NO3S — CID 10878594

IUPACmethyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)(C)N1C(C)=O
InChIInChI=1S/C9H15NO3S/c1-6(11)10-7(8(12)13-4)5-14-9(10,2)3/h7H,5H2,1-4H3/t7-/m0/s1
InChIKeyIWFOPVXYMIAYRY-ZETCQYMHSA-N
MW217.29 g/mol
LogP0.86
Rot. Bonds1

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

methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 10878594) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID10878594
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Namemethyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)(C)N1C(C)=O
InChIInChI=1S/C9H15NO3S/c1-6(11)10-7(8(12)13-4)5-14-9(10,2)3/h7H,5H2,1-4H3/t7-/m0/s1
InChIKeyIWFOPVXYMIAYRY-ZETCQYMHSA-N
XLogP0.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (CID 10878594) is methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(C)(C)N1C(C)=O.
What is the InChIKey of methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is IWFOPVXYMIAYRY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-6(11)10-7(8(12)13-4)5-14-9(10,2)3/h7H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 217.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 10878594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).