2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid

C12H15NO5S — CID 58431987

IUPAC2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H15NO5S/c1-18-11(12(14)15)9-3-5-10(6-4-9)13-7-2-8-19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyZNHQRKQFIFVANY-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.00
Rot. Bonds4

About 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid (PubChem CID 58431987) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
PubChem CID58431987
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H15NO5S/c1-18-11(12(14)15)9-3-5-10(6-4-9)13-7-2-8-19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyZNHQRKQFIFVANY-UHFFFAOYSA-N
XLogP1.00
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid (CID 58431987) is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid is COC(C(=O)O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid?
The InChIKey is ZNHQRKQFIFVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-11(12(14)15)9-3-5-10(6-4-9)13-7-2-8-19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid?
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid has a molecular weight of 285.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid is sourced from PubChem (CID 58431987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).