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

C10H17NO4S — CID 175812342

IUPAC2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)C1(CC(C)C)NC(C(=O)O)CS1
InChIInChI=1S/C10H17NO4S/c1-6(2)4-10(9(14)15-3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyJDJSMZZHKZLBOB-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.69
Rot. Bonds4

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

2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 175812342) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID175812342
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)C1(CC(C)C)NC(C(=O)O)CS1
InChIInChI=1S/C10H17NO4S/c1-6(2)4-10(9(14)15-3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyJDJSMZZHKZLBOB-UHFFFAOYSA-N
XLogP0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (CID 175812342) is 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is COC(=O)C1(CC(C)C)NC(C(=O)O)CS1.
What is the InChIKey of 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JDJSMZZHKZLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-6(2)4-10(9(14)15-3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 175812342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).