4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid

C7H13NO4S — CID 24688850

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
SMILESO=C(O)CCCN1CCCS1(=O)=O
InChIInChI=1S/C7H13NO4S/c9-7(10)3-1-4-8-5-2-6-13(8,11)12/h1-6H2,(H,9,10)
InChIKeyMMMPPBNBFMAYAS-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid

4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid (PubChem CID 24688850) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
PubChem CID24688850
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
SMILESO=C(O)CCCN1CCCS1(=O)=O
InChIInChI=1S/C7H13NO4S/c9-7(10)3-1-4-8-5-2-6-13(8,11)12/h1-6H2,(H,9,10)
InChIKeyMMMPPBNBFMAYAS-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidine-1-sulfonyl)butanoic acid
CID 28513434
2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
1-(3-Fluoropropylsulfonyl)pyrrolidine-3-carboxylic acid
CID 120082977
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanoic acid
CID 164659340
1-Cyclopropylsulfonylpyrrolidine-3-carboxylic acid
CID 21076142
1-Butylsulfonylpyrrolidine-3-carboxylic acid
CID 22322752
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
Methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
CID 43620009
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966
1-Propan-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 63032886
1-(3-Methylbutylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63856591
4-(1,1-Dihydroxy-1,2-thiazolidin-2-yl)butanoic acid
CID 89790015

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid (CID 24688850) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid is O=C(O)CCCN1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
The InChIKey is MMMPPBNBFMAYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-7(10)3-1-4-8-5-2-6-13(8,11)12/h1-6H2,(H,9,10).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid is sourced from PubChem (CID 24688850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).