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

C10H18N2O3S — CID 80500835

IUPAC2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CC)C(=O)CC1NC(C(=O)O)CS1
InChIInChI=1S/C10H18N2O3S/c1-3-12(4-2)9(13)5-8-11-7(6-16-8)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyCQNYTTYINYKAMU-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.36
Rot. Bonds5

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

2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80500835) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID80500835
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CC)C(=O)CC1NC(C(=O)O)CS1
InChIInChI=1S/C10H18N2O3S/c1-3-12(4-2)9(13)5-8-11-7(6-16-8)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyCQNYTTYINYKAMU-UHFFFAOYSA-N
XLogP0.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.36
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]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid (CID 80500835) is 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid is CCN(CC)C(=O)CC1NC(C(=O)O)CS1.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CQNYTTYINYKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-12(4-2)9(13)5-8-11-7(6-16-8)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.36, 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]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80500835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).