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

C13H24N2O3S — CID 3069937

IUPAC2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CC)C(=O)CC1(C)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C13H24N2O3S/c1-6-15(7-2)9(16)8-13(5)14-10(11(17)18)12(3,4)19-13/h10,14H,6-8H2,1-5H3,(H,17,18)
InChIKeyCNOBQTGRMBXQSL-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.53
Rot. Bonds5

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

2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3069937) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID3069937
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CC)C(=O)CC1(C)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C13H24N2O3S/c1-6-15(7-2)9(16)8-13(5)14-10(11(17)18)12(3,4)19-13/h10,14H,6-8H2,1-5H3,(H,17,18)
InChIKeyCNOBQTGRMBXQSL-UHFFFAOYSA-N
XLogP1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (CID 3069937) is 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is CCN(CC)C(=O)CC1(C)NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CNOBQTGRMBXQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-6-15(7-2)9(16)8-13(5)14-10(11(17)18)12(3,4)19-13/h10,14H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3069937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).