3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C11H14N2O3S2 — CID 113279259

IUPAC3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C(N)c1cccs1
InChIInChI=1S/C11H14N2O3S2/c1-6-13(7(5-18-6)11(15)16)10(14)9(12)8-3-2-4-17-8/h2-4,6-7,9H,5,12H2,1H3,(H,15,16)
InChIKeyZUYAVOWCVICPLW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.12
Rot. Bonds3

About 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 113279259) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID113279259
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C(N)c1cccs1
InChIInChI=1S/C11H14N2O3S2/c1-6-13(7(5-18-6)11(15)16)10(14)9(12)8-3-2-4-17-8/h2-4,6-7,9H,5,12H2,1H3,(H,15,16)
InChIKeyZUYAVOWCVICPLW-UHFFFAOYSA-N
XLogP1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 113279259) is 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)C(N)c1cccs1.
What is the InChIKey of 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZUYAVOWCVICPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-6-13(7(5-18-6)11(15)16)10(14)9(12)8-3-2-4-17-8/h2-4,6-7,9H,5,12H2,1H3,(H,15,16).
What are the key properties of 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 113279259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).