3-(1,3-thiazolidin-2-yl)propanoic acid

C6H11NO2S — CID 91512160

IUPAC3-(1,3-thiazolidin-2-yl)propanoic acid
SMILESO=C(O)CCC1NCCS1
InChIInChI=1S/C6H11NO2S/c8-6(9)2-1-5-7-3-4-10-5/h5,7H,1-4H2,(H,8,9)
InChIKeyODYXMRYGKSSZJM-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.51
Rot. Bonds3

About 3-(1,3-thiazolidin-2-yl)propanoic acid

3-(1,3-thiazolidin-2-yl)propanoic acid (PubChem CID 91512160) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-(1,3-thiazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,3-thiazolidin-2-yl)propanoic acid
PubChem CID91512160
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-(1,3-thiazolidin-2-yl)propanoic acid
SMILESO=C(O)CCC1NCCS1
InChIInChI=1S/C6H11NO2S/c8-6(9)2-1-5-7-3-4-10-5/h5,7H,1-4H2,(H,8,9)
InChIKeyODYXMRYGKSSZJM-UHFFFAOYSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazolidin-2-yl)propanoic acid?
The IUPAC name of 3-(1,3-thiazolidin-2-yl)propanoic acid (CID 91512160) is 3-(1,3-thiazolidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1,3-thiazolidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1,3-thiazolidin-2-yl)propanoic acid is O=C(O)CCC1NCCS1.
What is the InChIKey of 3-(1,3-thiazolidin-2-yl)propanoic acid?
The InChIKey is ODYXMRYGKSSZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-6(9)2-1-5-7-3-4-10-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of 3-(1,3-thiazolidin-2-yl)propanoic acid?
3-(1,3-thiazolidin-2-yl)propanoic acid has a molecular weight of 161.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazolidin-2-yl)propanoic acid is sourced from PubChem (CID 91512160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).