2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid

C11H20N2O3S — CID 3069931

IUPAC2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C)C(=O)CC1(C)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C11H20N2O3S/c1-10(2)8(9(15)16)12-11(3,17-10)6-7(14)13(4)5/h8,12H,6H2,1-5H3,(H,15,16)
InChIKeyYOEWXEPGJITUFZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.75
Rot. Bonds3

About 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid

2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3069931) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID3069931
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C)C(=O)CC1(C)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C11H20N2O3S/c1-10(2)8(9(15)16)12-11(3,17-10)6-7(14)13(4)5/h8,12H,6H2,1-5H3,(H,15,16)
InChIKeyYOEWXEPGJITUFZ-UHFFFAOYSA-N
XLogP0.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (CID 3069931) is 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is CN(C)C(=O)CC1(C)NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YOEWXEPGJITUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-10(2)8(9(15)16)12-11(3,17-10)6-7(14)13(4)5/h8,12H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).