2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid

C7H9NO5S — CID 117029894

IUPAC2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C7H9NO5S/c9-6-1-2-14(12,13)8(6)5-3-4(5)7(10)11/h4-5H,1-3H2,(H,10,11)
InChIKeyQQAMZDWUJCXDJH-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.98
Rot. Bonds2

About 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid

2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 117029894) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID117029894
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Name2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C7H9NO5S/c9-6-1-2-14(12,13)8(6)5-3-4(5)7(10)11/h4-5H,1-3H2,(H,10,11)
InChIKeyQQAMZDWUJCXDJH-UHFFFAOYSA-N
XLogP-0.98
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168674865
1-Cyclopropylsulfonylpyrrolidine-3-carboxylic acid
CID 21076142
5-Oxo-1-(2-sulfoethyl)pyrrolidine-3-carboxylic acid
CID 83295024
(3R)-1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid
CID 170071820
5-Oxo-1-(2-sulfamoylethyl)pyrrolidine-3-carboxylic acid
CID 43551558
1-(Cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 64987647
1-Cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid
CID 79371470
1-Ethylsulfonyl-5-oxopyrrolidine-3-carboxylic acid
CID 84130118
5-Oxo-1-propylsulfonylpyrrolidine-3-carboxylic acid
CID 84145662
1-Butylsulfonyl-5-oxopyrrolidine-3-carboxylic acid
CID 84167704
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
CID 117029842

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid (CID 117029894) is 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1N1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is QQAMZDWUJCXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S/c9-6-1-2-14(12,13)8(6)5-3-4(5)7(10)11/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117029894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).