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

C9H17NO2S — CID 14943673

IUPACmethyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(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-JAMMHHFISA-N
MW203.31 g/mol
LogP1.24
Rot. Bonds3

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

methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 14943673) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID14943673
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(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-JAMMHHFISA-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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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (CID 14943673) is methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(CC(C)C)N1.
What is the InChIKey of methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is SPQFBRDNUJFFOA-JAMMHHFISA-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 (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
methyl (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 (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14943673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).