2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C10H19NO3S — CID 80500611

IUPAC2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(C)(C)CC1(C)NC(C(=O)O)CS1
InChIInChI=1S/C10H19NO3S/c1-9(2,14-4)6-10(3)11-7(5-15-10)8(12)13/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyCEUSYWRZMKJGER-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.31
Rot. Bonds4

About 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80500611) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID80500611
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(C)(C)CC1(C)NC(C(=O)O)CS1
InChIInChI=1S/C10H19NO3S/c1-9(2,14-4)6-10(3)11-7(5-15-10)8(12)13/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyCEUSYWRZMKJGER-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 80500611) is 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is COC(C)(C)CC1(C)NC(C(=O)O)CS1.
What is the InChIKey of 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CEUSYWRZMKJGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9(2,14-4)6-10(3)11-7(5-15-10)8(12)13/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 233.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80500611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).