tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

C12H21NO3S — CID 135043633

IUPACtert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(=O)[C@@H]1CSC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3S/c1-8(14)9-7-17-12(5,6)13(9)10(15)16-11(2,3)4/h9H,7H2,1-6H3/t9-/m0/s1
InChIKeyZTVXWWUBFQHRNP-VIFPVBQESA-N
MW259.37 g/mol
LogP2.66
Rot. Bonds1

About tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 135043633) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID135043633
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Nametert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(=O)[C@@H]1CSC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3S/c1-8(14)9-7-17-12(5,6)13(9)10(15)16-11(2,3)4/h9H,7H2,1-6H3/t9-/m0/s1
InChIKeyZTVXWWUBFQHRNP-VIFPVBQESA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4S)-4-[cyclopropyl(methyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 53576458
(4R)-3-tert-Butoxycarbonyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 10999834
3-(Tert-butoxycarbonyl)-2,2-dimethylthiazolidine-4-carboxylic acid
CID 14393882
tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 10332118
(S)-3-Boc-2,2-dimethylthiazolidine-4-carbaldehyde
CID 20624365
tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate
CID 550866
3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 11065660
isopropyl N-boc-thiazolidine
CID 129798758
methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 134896191
tert-butyl (4R)-2,2,4-trimethyl-1,3-thiazolidine-3-carboxylate
CID 134942144
Tert-butyl 4-(4-methylpiperazine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 53562574
Tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-thiazolidine-3-carboxylate
CID 9903297

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (CID 135043633) is tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is CC(=O)[C@@H]1CSC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is ZTVXWWUBFQHRNP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO3S/c1-8(14)9-7-17-12(5,6)13(9)10(15)16-11(2,3)4/h9H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 259.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 135043633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).