tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

C14H25NO4S — CID 138968159

IUPACtert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)CCC1CSC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4S/c1-13(2,3)19-12(17)15-10(7-8-11(16)18-6)9-20-14(15,4)5/h10H,7-9H2,1-6H3
InChIKeyZZHQQCHLIZTLKR-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 138968159) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID138968159
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Nametert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)CCC1CSC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4S/c1-13(2,3)19-12(17)15-10(7-8-11(16)18-6)9-20-14(15,4)5/h10H,7-9H2,1-6H3
InChIKeyZZHQQCHLIZTLKR-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidin-4-yl]propanoic acid
CID 138967394
Tert-butyl 2-oxo-5-(propylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 71116032
methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiolane-2-carboxylate
CID 122535470
methyl (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiolane-2-carboxylate
CID 122535471
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiolane-2-carboxylate
CID 122535733
tert-butyl (2S)-2-[(3-methoxy-3-oxopropyl)sulfanylmethyl]pyrrolidine-1-carboxylate
CID 138638055
Tert-butyl 2-[(3-methoxy-3-oxopropyl)sulfanylmethyl]pyrrolidine-1-carboxylate
CID 142595076
tert-butyl (4S)-5-acetylsulfanyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 10406307
8-[(Tert-butoxy)carbonyl]-5-thia-8-azaspiro[3.4]octane-2-carboxylic acid
CID 165913335

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (CID 138968159) is tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is COC(=O)CCC1CSC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is ZZHQQCHLIZTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-13(2,3)19-12(17)15-10(7-8-11(16)18-6)9-20-14(15,4)5/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 303.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 138968159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).