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

C11H21NO3S — CID 20624366

IUPACtert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CO)CSC1(C)C
InChIInChI=1S/C11H21NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h8,13H,6-7H2,1-5H3
InChIKeySCBRLOVJYLTKIS-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.07
Rot. Bonds1

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

tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 20624366) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID20624366
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Nametert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CO)CSC1(C)C
InChIInChI=1S/C11H21NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h8,13H,6-7H2,1-5H3
InChIKeySCBRLOVJYLTKIS-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-tert-Butoxycarbonyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 10999834
3-(Tert-butoxycarbonyl)-2,2-dimethylthiazolidine-4-carboxylic acid
CID 14393882
(4R)-3-(Tert-butoxycarbonyl)-4-hydroxymethyl-2,2-dimethyl-1,3-thiazolidine
CID 60068811
tert-butyl (4S)-4-[bis(ethylsulfanyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11290617
3-O-tert-butyl 4-O-methyl (4R,5S)-5-hydroxy-2,2-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 14825286
Tert-butyl 2-hydroxy-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 91131187
tert-butyl (4R)-2,2,4-trimethyl-1,3-thiazolidine-3-carboxylate
CID 134942144
Tert-butyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 138968301
(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 10658131
tert-butyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]pyrrolidine-1-carboxylate
CID 11244096
Tert-butyl 2-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 20624360
Tert-butyl 4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 20624367

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (CID 20624366) is tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CO)CSC1(C)C.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is SCBRLOVJYLTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h8,13H,6-7H2,1-5H3.
What are the key properties of tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 247.36 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 20624366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).