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

C9H15NO3S — CID 134896191

IUPACmethyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1[C@H](C(C)=O)CSC1(C)C
InChIInChI=1S/C9H15NO3S/c1-6(11)7-5-14-9(2,3)10(7)8(12)13-4/h7H,5H2,1-4H3/t7-/m0/s1
InChIKeyBWSSIXZCRMSANN-ZETCQYMHSA-N
MW217.29 g/mol
LogP1.50
Rot. Bonds1

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

methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 134896191) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID134896191
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Namemethyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1[C@H](C(C)=O)CSC1(C)C
InChIInChI=1S/C9H15NO3S/c1-6(11)7-5-14-9(2,3)10(7)8(12)13-4/h7H,5H2,1-4H3/t7-/m0/s1
InChIKeyBWSSIXZCRMSANN-ZETCQYMHSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 10332118
(S)-3-Boc-2,2-dimethylthiazolidine-4-carbaldehyde
CID 20624365
Methyl 3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 13501311
methyl (4R,5S)-4-acetyl-5-hydroperoxy-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 134995666
tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 135043633
methyl (4R)-3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 10878594
methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 11009022
methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate
CID 11745738
4-Acetyl-3-methyl-1,3-thiazolidin-2-one
CID 23591475
Tert-butyl 2-acetyl-1,3-thiazolidine-3-carboxylate
CID 25257019
2-Acetyl-1,3-thiazolidine-3-carboxylic acid
CID 57129596
(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde
CID 59050241

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (CID 134896191) is methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is COC(=O)N1[C@H](C(C)=O)CSC1(C)C.
What is the InChIKey of methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is BWSSIXZCRMSANN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-6(11)7-5-14-9(2,3)10(7)8(12)13-4/h7H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 217.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 134896191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).