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

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

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

Launch Full Analysis

Related Compounds

2-(1,1-dioxothiazinan-2-yl)pentanoic acid
CID 116814416
methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
CID 43620009
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 24689195
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid
CID 65285270
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentan-1-ol
CID 106353513
2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-5-methoxy-5-oxopentanoic acid
CID 103551568
(2S)-5-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825523
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972
2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
(2S)-2-[(1,1-dioxothiane-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820152
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid
CID 168713239

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).