4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid

C10H14N2O5S — CID 166506294

IUPAC4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C10H14N2O5S/c13-7(11-4-1-2-9(15)16)3-5-12-8(14)6-18-10(12)17/h1-6H2,(H,11,13)(H,15,16)
InChIKeyMQIZXUZUJGOZIC-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.05
Rot. Bonds7

About 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid

4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid (PubChem CID 166506294) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
PubChem CID166506294
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C10H14N2O5S/c13-7(11-4-1-2-9(15)16)3-5-12-8(14)6-18-10(12)17/h1-6H2,(H,11,13)(H,15,16)
InChIKeyMQIZXUZUJGOZIC-UHFFFAOYSA-N
XLogP0.05
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid?
The IUPAC name of 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid (CID 166506294) is 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid?
The canonical SMILES for 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid is O=C(O)CCCNC(=O)CCN1C(=O)CSC1=O.
What is the InChIKey of 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid?
The InChIKey is MQIZXUZUJGOZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c13-7(11-4-1-2-9(15)16)3-5-12-8(14)6-18-10(12)17/h1-6H2,(H,11,13)(H,15,16).
What are the key properties of 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid?
4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid has a molecular weight of 274.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 166506294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).