2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid

C13H14N2O7S — CID 11175252

IUPAC2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(NC(=O)COc2ccccc2)CS1(=O)=O
InChIInChI=1S/C13H14N2O7S/c16-11(7-22-9-4-2-1-3-5-9)14-10-8-23(20,21)15(13(10)19)6-12(17)18/h1-5,10H,6-8H2,(H,14,16)(H,17,18)
InChIKeyPEDLXZHDBKRPCE-UHFFFAOYSA-N
MW342.33 g/mol
LogP-1.19
Rot. Bonds6

About 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid

2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid (PubChem CID 11175252) has the molecular formula C13H14N2O7S and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid
PubChem CID11175252
Molecular FormulaC13H14N2O7S
Molecular Weight342.33 g/mol
Exact Mass342.05
IUPAC Name2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(NC(=O)COc2ccccc2)CS1(=O)=O
InChIInChI=1S/C13H14N2O7S/c16-11(7-22-9-4-2-1-3-5-9)14-10-8-23(20,21)15(13(10)19)6-12(17)18/h1-5,10H,6-8H2,(H,14,16)(H,17,18)
InChIKeyPEDLXZHDBKRPCE-UHFFFAOYSA-N
XLogP-1.19
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid?
The IUPAC name of 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid (CID 11175252) is 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid is O=C(O)CN1C(=O)C(NC(=O)COc2ccccc2)CS1(=O)=O.
What is the InChIKey of 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid?
The InChIKey is PEDLXZHDBKRPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O7S/c16-11(7-22-9-4-2-1-3-5-9)14-10-8-23(20,21)15(13(10)19)6-12(17)18/h1-5,10H,6-8H2,(H,14,16)(H,17,18).
What are the key properties of 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid?
2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid has a molecular weight of 342.33 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,3-trioxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-2-yl]acetic acid is sourced from PubChem (CID 11175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).