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

C14H25NO4S — CID 14003875

IUPACethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C(C(C)C)C1(C)N[C@H](C(=O)OCC)CS1
InChIInChI=1S/C14H25NO4S/c1-6-18-12(16)10-8-20-14(5,15-10)11(9(3)4)13(17)19-7-2/h9-11,15H,6-8H2,1-5H3/t10-,11?,14?/m0/s1
InChIKeyQSTYHOFSZOHVGG-IFQILLTASA-N
MW303.42 g/mol
LogP1.81
Rot. Bonds6

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

ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 14003875) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID14003875
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Nameethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C(C(C)C)C1(C)N[C@H](C(=O)OCC)CS1
InChIInChI=1S/C14H25NO4S/c1-6-18-12(16)10-8-20-14(5,15-10)11(9(3)4)13(17)19-7-2/h9-11,15H,6-8H2,1-5H3/t10-,11?,14?/m0/s1
InChIKeyQSTYHOFSZOHVGG-IFQILLTASA-N
XLogP1.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 20614748
Propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 21431793
2-[2-Methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 58672523
Butyl 4-propan-2-yl-1,3-thiazolidine-2-carboxylate
CID 70295792
(2R,4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 163672027
(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 166067406
(4R)-2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 166067407
(2S,4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 169614959
(2R,4R)-2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 169615210
(2S,4R)-2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 169615211
2-Ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 175812263
2-Methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 175812342

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate (CID 14003875) is ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C(C(C)C)C1(C)N[C@H](C(=O)OCC)CS1.
What is the InChIKey of ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is QSTYHOFSZOHVGG-IFQILLTASA-N. The full InChI is InChI=1S/C14H25NO4S/c1-6-18-12(16)10-8-20-14(5,15-10)11(9(3)4)13(17)19-7-2/h9-11,15H,6-8H2,1-5H3/t10-,11?,14?/m0/s1.
What are the key properties of ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 303.42 g/mol, XLogP of 1.81, 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-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14003875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).