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

C8H13NO3S — CID 11745738

IUPACmethyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](C)N1C(C)=O
InChIInChI=1S/C8H13NO3S/c1-5(10)9-6(2)13-4-7(9)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7+/m1/s1
InChIKeyNNTOZPLXZHWPRU-RQJHMYQMSA-N
MW203.26 g/mol
LogP0.47
Rot. Bonds1

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

methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 11745738) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID11745738
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Namemethyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](C)N1C(C)=O
InChIInChI=1S/C8H13NO3S/c1-5(10)9-6(2)13-4-7(9)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7+/m1/s1
InChIKeyNNTOZPLXZHWPRU-RQJHMYQMSA-N
XLogP0.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazolidinecarboxylic acid, 3-acetyl-
CID 98928
3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 2786994
(4R)-3-Acetyl-4-thiazolidinecarboxylic acid
CID 197107
(4R)-3-[(2S)-2-acetylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 13599153
ethyl (4S)-2-tert-butyl-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate
CID 122189890
(4R)-3-[(2R)-2-acetylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 13599154
methyl (4R)-3-propanoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate
CID 359471
(R)-3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 724082
methyl (2R,4R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 10900479
methyl (2R,4R)-2-tert-butyl-3-formyl-4-methyl-1,3-thiazolidine-4-carboxylate
CID 11139397
Methyl 3-(chloroacetyl)-1,3-thiazolidine-4-carboxylate
CID 13405275
3-Acetyl-2-methylthiazolidine-4-carboxylic acid
CID 63791941

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate (CID 11745738) is methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CS[C@H](C)N1C(C)=O.
What is the InChIKey of methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is NNTOZPLXZHWPRU-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-5(10)9-6(2)13-4-7(9)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate?
methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-3-acetyl-2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11745738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).