2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C10H19NO2S — CID 21397237

IUPAC2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(CC)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C10H19NO2S/c1-5-10(6-2)11-7(8(12)13)9(3,4)14-10/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUKPGWLVKQPGPQN-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.07
Rot. Bonds3

About 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 21397237) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID21397237
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(CC)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C10H19NO2S/c1-5-10(6-2)11-7(8(12)13)9(3,4)14-10/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUKPGWLVKQPGPQN-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 21397237) is 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CCC1(CC)NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UKPGWLVKQPGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-10(6-2)11-7(8(12)13)9(3,4)14-10/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 21397237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).