3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid

C8H12N2O4S — CID 43354693

IUPAC3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CN1CSCC1=O
InChIInChI=1S/C8H12N2O4S/c11-6(9-2-1-8(13)14)3-10-5-15-4-7(10)12/h1-5H2,(H,9,11)(H,13,14)
InChIKeyKBZDZULWWSVJJY-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.89
Rot. Bonds5

About 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid

3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 43354693) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
PubChem CID43354693
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CN1CSCC1=O
InChIInChI=1S/C8H12N2O4S/c11-6(9-2-1-8(13)14)3-10-5-15-4-7(10)12/h1-5H2,(H,9,11)(H,13,14)
InChIKeyKBZDZULWWSVJJY-UHFFFAOYSA-N
XLogP-0.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (CID 43354693) is 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)CN1CSCC1=O.
What is the InChIKey of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is KBZDZULWWSVJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c11-6(9-2-1-8(13)14)3-10-5-15-4-7(10)12/h1-5H2,(H,9,11)(H,13,14).
What are the key properties of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 232.26 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43354693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).