ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate

C13H23NO4S — CID 14003877

IUPACethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C(CC)C1(C)N[C@H](C(=O)OCC)CS1
InChIInChI=1S/C13H23NO4S/c1-5-9(11(15)17-6-2)13(4)14-10(8-19-13)12(16)18-7-3/h9-10,14H,5-8H2,1-4H3/t9?,10-,13?/m0/s1
InChIKeyGGGCYFUSMWPBFV-QUNCOHTASA-N
MW289.40 g/mol
LogP1.56
Rot. Bonds6

About ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate

ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 14003877) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID14003877
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Nameethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C(CC)C1(C)N[C@H](C(=O)OCC)CS1
InChIInChI=1S/C13H23NO4S/c1-5-9(11(15)17-6-2)13(4)14-10(8-19-13)12(16)18-7-3/h9-10,14H,5-8H2,1-4H3/t9?,10-,13?/m0/s1
InChIKeyGGGCYFUSMWPBFV-QUNCOHTASA-N
XLogP1.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295724
Ethyl 2-(2-ethoxy-1-formamido-2-oxo-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylate
CID 504548
dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
CID 101020864
dimethyl (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
CID 101020865
Ethyl 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 107133067
ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
CID 101085544
ethyl (4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101096012
methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 14943673
ethyl 3-methyl-2-[[(2S)-thian-2-yl]amino]butanoate
CID 18654160
Methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 20614726

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate (CID 14003877) is ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C(CC)C1(C)N[C@H](C(=O)OCC)CS1.
What is the InChIKey of ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is GGGCYFUSMWPBFV-QUNCOHTASA-N. The full InChI is InChI=1S/C13H23NO4S/c1-5-9(11(15)17-6-2)13(4)14-10(8-19-13)12(16)18-7-3/h9-10,14H,5-8H2,1-4H3/t9?,10-,13?/m0/s1.
What are the key properties of ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14003877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).