4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid

C8H13NO5S — CID 66240870

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1N1CCCS1(=O)=O
InChIInChI=1S/C8H13NO5S/c10-8(11)6-4-14-5-7(6)9-2-1-3-15(9,12)13/h6-7H,1-5H2,(H,10,11)
InChIKeyJXSLHIPCAIAUBH-UHFFFAOYSA-N
MW235.26 g/mol
LogP-0.88
Rot. Bonds2

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid

4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid (PubChem CID 66240870) has the molecular formula C8H13NO5S and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid
PubChem CID66240870
Molecular FormulaC8H13NO5S
Molecular Weight235.26 g/mol
Exact Mass235.05
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1N1CCCS1(=O)=O
InChIInChI=1S/C8H13NO5S/c10-8(11)6-4-14-5-7(6)9-2-1-3-15(9,12)13/h6-7H,1-5H2,(H,10,11)
InChIKeyJXSLHIPCAIAUBH-UHFFFAOYSA-N
XLogP-0.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiazinan-2-yl)cyclopentane-1-carboxylic acid
CID 83825294
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
CID 102735087
4-pyrrol-1-yloxolane-3-carboxylic acid
CID 66238471
4-(3,5-dioxo-1,2,4-triazolidin-4-yl)oxolane-3-carboxylic acid
CID 107409524
4-methyloxolane-3-carboxylic acid
CID 83669962
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol
CID 130503022
4-(1,3-dioxo-4H-isoquinolin-2-yl)oxolane-3-carboxylic acid
CID 66240294

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid (CID 66240870) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid is O=C(O)C1COCC1N1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid?
The InChIKey is JXSLHIPCAIAUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5S/c10-8(11)6-4-14-5-7(6)9-2-1-3-15(9,12)13/h6-7H,1-5H2,(H,10,11).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 66240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).