6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid

C11H21NO4S — CID 65285270

IUPAC6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid
SMILESCC(CCCC(C)N1CCCS1(=O)=O)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(11(13)14)5-3-6-10(2)12-7-4-8-17(12,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyIZCFJXOFJRDUAW-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds6

About 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid

6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid (PubChem CID 65285270) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid
PubChem CID65285270
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid
SMILESCC(CCCC(C)N1CCCS1(=O)=O)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(11(13)14)5-3-6-10(2)12-7-4-8-17(12,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyIZCFJXOFJRDUAW-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid?
The IUPAC name of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid (CID 65285270) is 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid.
What is the SMILES notation for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid?
The canonical SMILES for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid is CC(CCCC(C)N1CCCS1(=O)=O)C(=O)O.
What is the InChIKey of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid?
The InChIKey is IZCFJXOFJRDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(11(13)14)5-3-6-10(2)12-7-4-8-17(12,15)16/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid?
6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid is sourced from PubChem (CID 65285270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).