3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

C12H18N2O4S — CID 55235715

IUPAC3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N(C)CC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C12H18N2O4S/c1-7(15)13(2)5-10(16)14-9(12(17)18)6-19-11(14)8-3-4-8/h8-9,11H,3-6H2,1-2H3,(H,17,18)
InChIKeySFKSXXTVXFYLMT-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.23
Rot. Bonds4

About 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235715) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235715
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N(C)CC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C12H18N2O4S/c1-7(15)13(2)5-10(16)14-9(12(17)18)6-19-11(14)8-3-4-8/h8-9,11H,3-6H2,1-2H3,(H,17,18)
InChIKeySFKSXXTVXFYLMT-UHFFFAOYSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 55235715) is 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is CC(=O)N(C)CC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SFKSXXTVXFYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-7(15)13(2)5-10(16)14-9(12(17)18)6-19-11(14)8-3-4-8/h8-9,11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).