2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid

C11H13NO4S — CID 24688909

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCCS1(=O)=O
InChIInChI=1S/C11H13NO4S/c13-11(14)10(9-5-2-1-3-6-9)12-7-4-8-17(12,15)16/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChIKeyLMYIULWNKUWFSE-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.85
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid (PubChem CID 24688909) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
PubChem CID24688909
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCCS1(=O)=O
InChIInChI=1S/C11H13NO4S/c13-11(14)10(9-5-2-1-3-6-9)12-7-4-8-17(12,15)16/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChIKeyLMYIULWNKUWFSE-UHFFFAOYSA-N
XLogP0.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 10265079
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol
CID 104549561
methyl 2-(1,1-dioxothiazetidin-2-yl)-2-phenylacetate
CID 101164706
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-phenylbutanoic acid
CID 60829321
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 24689195
2-(1,1-dioxothiazinan-2-yl)-2-(1-methylpyrazol-4-yl)acetic acid
CID 116814510
2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
2-phenyl-2-(1,1,4-trihydroxy-1,2,5-thiadiazolidin-2-yl)acetic acid
CID 174485337
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
(2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-phenylacetic acid
CID 119372514
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-phenylacetic acid
CID 146128266
(2S)-2-(1,1-dioxothiazinan-2-yl)-3-phenylpropan-1-ol
CID 114010346

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid (CID 24688909) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid?
The InChIKey is LMYIULWNKUWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-11(14)10(9-5-2-1-3-6-9)12-7-4-8-17(12,15)16/h1-3,5-6,10H,4,7-8H2,(H,13,14).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid has a molecular weight of 255.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid is sourced from PubChem (CID 24688909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).