2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate

C11H19NO4S — CID 142739823

IUPAC2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate
SMILESCCOC(=O)N1CCSC1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4S/c1-5-15-10(14)12-6-7-17-8(12)9(13)16-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNFOILVWXKUWWAA-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.86
Rot. Bonds2

About 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate

2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate (PubChem CID 142739823) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate
PubChem CID142739823
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate
SMILESCCOC(=O)N1CCSC1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4S/c1-5-15-10(14)12-6-7-17-8(12)9(13)16-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNFOILVWXKUWWAA-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-acetyl-1,3-thiazolidine-3-carboxylate
CID 118137125
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
1-O-tert-butyl 2-O-ethyl (2S,3S)-3-hydroxypiperidine-1,2-dicarboxylate
CID 11184884
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 11748041
5-O-tert-butyl 4-O-ethyl 5-azaspiro[2.4]heptane-4,5-dicarboxylate
CID 118332036
tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate
CID 175387039
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
(2R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanethioyl]-1,3-thiazolidine-2-carboxylic acid
CID 59926974
(2S)-3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166842542
1-O,4-O-ditert-butyl 2-O-ethyl (2R,3R)-3-formylpiperazine-1,2,4-tricarboxylate
CID 156904031
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate (CID 142739823) is 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate is CCOC(=O)N1CCSC1C(=O)OC(C)(C)C.
What is the InChIKey of 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate?
The InChIKey is NFOILVWXKUWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-5-15-10(14)12-6-7-17-8(12)9(13)16-11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate?
2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate has a molecular weight of 261.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate is sourced from PubChem (CID 142739823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).