3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid

C12H15NO4S — CID 10265079

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)N1CCCS1(=O)=O
InChIInChI=1S/C12H15NO4S/c14-12(15)9-11(10-5-2-1-3-6-10)13-7-4-8-18(13,16)17/h1-3,5-6,11H,4,7-9H2,(H,14,15)
InChIKeySUMMWXOJXCAIKF-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.24
Rot. Bonds4

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid (PubChem CID 10265079) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
PubChem CID10265079
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)N1CCCS1(=O)=O
InChIInChI=1S/C12H15NO4S/c14-12(15)9-11(10-5-2-1-3-6-10)13-7-4-8-18(13,16)17/h1-3,5-6,11H,4,7-9H2,(H,14,15)
InChIKeySUMMWXOJXCAIKF-UHFFFAOYSA-N
XLogP1.24
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid (CID 10265079) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)N1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid?
The InChIKey is SUMMWXOJXCAIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(15)9-11(10-5-2-1-3-6-10)13-7-4-8-18(13,16)17/h1-3,5-6,11H,4,7-9H2,(H,14,15).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 10265079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).