2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid

C9H15NO6S — CID 82787016

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(C(=O)O)N1CCCS1(=O)=O
InChIInChI=1S/C9H15NO6S/c1-16-8(11)4-3-7(9(12)13)10-5-2-6-17(10,14)15/h7H,2-6H2,1H3,(H,12,13)
InChIKeyJUTXRCNKGVLXQM-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.57
Rot. Bonds5

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid (PubChem CID 82787016) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid
PubChem CID82787016
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(C(=O)O)N1CCCS1(=O)=O
InChIInChI=1S/C9H15NO6S/c1-16-8(11)4-3-7(9(12)13)10-5-2-6-17(10,14)15/h7H,2-6H2,1H3,(H,12,13)
InChIKeyJUTXRCNKGVLXQM-UHFFFAOYSA-N
XLogP-0.57
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid (CID 82787016) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(C(=O)O)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid?
The InChIKey is JUTXRCNKGVLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-16-8(11)4-3-7(9(12)13)10-5-2-6-17(10,14)15/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid has a molecular weight of 265.29 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82787016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).