3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate

C10H17NO4S — CID 51675885

IUPAC3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)OC
InChIInChI=1S/C10H17NO4S/c1-10(2,3)15-9(13)11-5-6-16-7(11)8(12)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyKHTZFUJPNHKSFR-SSDOTTSWSA-N
MW247.31 g/mol
LogP1.60
Rot. Bonds4

About 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate

3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate (PubChem CID 51675885) has the molecular formula C10H17NO4S and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate
PubChem CID51675885
Molecular FormulaC10H17NO4S
Molecular Weight247.31 g/mol
Exact Mass247.09
IUPAC Name3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)OC
InChIInChI=1S/C10H17NO4S/c1-10(2,3)15-9(13)11-5-6-16-7(11)8(12)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyKHTZFUJPNHKSFR-SSDOTTSWSA-N
XLogP1.60
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity287

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-3-Boc-thiazolidine-2-carboxylic acid
CID 14775612
(2R)-3-(tert-Butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid
CID 16218805
Tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate
CID 86218856
(4R)-3-tert-Butoxycarbonyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 10999834
3-(Tert-butoxycarbonyl)-2,2-dimethylthiazolidine-4-carboxylic acid
CID 14393882
3-(tert-Butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid
CID 4644094
3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 11065660
2-t-Butyl-thiazolidine-3,4-dicarboxylic acid, dimethyl ester
CID 609379
(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 10658131
Methyl N-Boc-thiazolidine-2-carboxylate
CID 17750459
3-[(Tert-butoxy)carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 22105489
3-t-Butyl thiazolidine-3,4-dicarboxylate
CID 23091968

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate (CID 51675885) is 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate is CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)OC.
What is the InChIKey of 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate?
The InChIKey is KHTZFUJPNHKSFR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-10(2,3)15-9(13)11-5-6-16-7(11)8(12)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate?
3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate has a molecular weight of 247.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 2-O-methyl (2R)-1,3-thiazolidine-2,3-dicarboxylate is sourced from PubChem (CID 51675885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).