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

C10H19NO2S — CID 15052278

IUPACmethyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(CC(C)C)N1C
InChIInChI=1S/C10H19NO2S/c1-7(2)5-9-11(3)8(6-14-9)10(12)13-4/h7-9H,5-6H2,1-4H3/t8-,9?/m0/s1
InChIKeyAULLMTQBJNTDML-IENPIDJESA-N
MW217.33 g/mol
LogP1.58
Rot. Bonds3

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

methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 15052278) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID15052278
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(CC(C)C)N1C
InChIInChI=1S/C10H19NO2S/c1-7(2)5-9-11(3)8(6-14-9)10(12)13-4/h7-9H,5-6H2,1-4H3/t8-,9?/m0/s1
InChIKeyAULLMTQBJNTDML-IENPIDJESA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 131844650
3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 42744251
methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
CID 11833733
methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
CID 67755279
(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 7438953
methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 101131848
methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
CID 86153682
N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748095
methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate
CID 71410127
3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4984599
2-methylpropyl 2-(2-methylpropyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4658197
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
CID 105467059

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (CID 15052278) is methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(CC(C)C)N1C.
What is the InChIKey of methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is AULLMTQBJNTDML-IENPIDJESA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(2)5-9-11(3)8(6-14-9)10(12)13-4/h7-9H,5-6H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 15052278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).