tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate

C11H21NO3S — CID 101347872

IUPACtert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate
SMILESCC[C@@H](O)[C@@H]1SCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3S/c1-5-8(13)9-12(6-7-16-9)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyKRDLKYKVNWSNQU-BDAKNGLRSA-N
MW247.36 g/mol
LogP2.07
Rot. Bonds2

About tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate

tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate (PubChem CID 101347872) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate
PubChem CID101347872
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Nametert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate
SMILESCC[C@@H](O)[C@@H]1SCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3S/c1-5-8(13)9-12(6-7-16-9)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyKRDLKYKVNWSNQU-BDAKNGLRSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

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Related Compounds

tert-butyl (4R)-4-[(1R,2R)-2-fluoro-1,3-dihydroxypropyl]-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 134952406
Tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 20624366
(4R)-3-(Tert-butoxycarbonyl)-4-hydroxymethyl-2,2-dimethyl-1,3-thiazolidine
CID 60068811
Tert-butyl 2-hydroxy-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 91131187
Tert-butyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 138968301
tert-butyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]pyrrolidine-1-carboxylate
CID 11244096
4-Boc-1,4-thiazepan-6-ol
CID 15035855
Tert-butyl 2-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 20624360
Tert-butyl 4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 20624367
(2S)-1-(t-Butoxycarbonyl)-2-[1-hydroxy-2-(isopropylthio)-ethyl]pyrrolidine
CID 22860063
3-Tert-butoxycarbonyl-5-hydroxymethylthiazolidine
CID 23512132
Tert-butyl 3-hydroxy-4-(methylsulfanyl)pyrrolidine-1-carboxylate
CID 53741510

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate (CID 101347872) is tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate is CC[C@@H](O)[C@@H]1SCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate?
The InChIKey is KRDLKYKVNWSNQU-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-5-8(13)9-12(6-7-16-9)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate?
tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate has a molecular weight of 247.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 101347872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).