methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

C9H17NO2S — CID 101131848

IUPACmethyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](CC(C)C)N1
InChIInChI=1S/C9H17NO2S/c1-6(2)4-8-10-7(5-13-8)9(11)12-3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeySPQFBRDNUJFFOA-JGVFFNPUSA-N
MW203.31 g/mol
LogP1.24
Rot. Bonds3

About methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 101131848) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID101131848
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](CC(C)C)N1
InChIInChI=1S/C9H17NO2S/c1-6(2)4-8-10-7(5-13-8)9(11)12-3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeySPQFBRDNUJFFOA-JGVFFNPUSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42744271
methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101131834
dimethyl (2S,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 28775163
dimethyl (2R,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 7010165
ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
CID 177001709
tert-butyl N-(2-oxoethyl)carbamate;methyl (4R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
CID 158212043
methyl (2R,4R)-2-tert-butyl-1,3-thiazolidine-4-carboxylate
CID 10921607
methyl (4R)-2-tert-butyl-1,3-thiazolidine-4-carboxylate
CID 11542981
4-methyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 66218897
methyl 2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazolidine-4-carboxylate
CID 67930223
methyl 2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylate
CID 71342672
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (CID 101131848) is methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CS[C@H](CC(C)C)N1.
What is the InChIKey of methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is SPQFBRDNUJFFOA-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6(2)4-8-10-7(5-13-8)9(11)12-3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 101131848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).