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

C8H10N2O5S — CID 27409958

IUPAC3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C8H10N2O5S/c11-5(9-2-1-7(13)14)3-10-6(12)4-16-8(10)15/h1-4H2,(H,9,11)(H,13,14)
InChIKeyXIEVFLJCUYUEFN-UHFFFAOYSA-N
MW246.24 g/mol
LogP-0.73
Rot. Bonds5

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

3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 27409958) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
PubChem CID27409958
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C8H10N2O5S/c11-5(9-2-1-7(13)14)3-10-6(12)4-16-8(10)15/h1-4H2,(H,9,11)(H,13,14)
InChIKeyXIEVFLJCUYUEFN-UHFFFAOYSA-N
XLogP-0.73
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-2-methylthiazolidine-4-carbonyl glycine
CID 129850204
3-[(2-Methyl-1,3-thiazolidin-4-yl)formamido]propanoic acid
CID 21299104
3-[(2-Methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride
CID 21299106
3-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanoic acid
CID 127560312
3-[3-(2,4-Dioxo-1,3-thiazolidin-3-yl)propylamino]-3-oxopropanoic acid
CID 166506266
3-[3-(2,4-Dioxo-1,3-thiazolidin-3-yl)propanoylamino]propanoic acid
CID 166506350
2-[2-[2-(5-Methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 167260970
2-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)acetylamino]acetic acid
CID 16452208
2-[[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 23913080
3-(2-Acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702449
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide
CID 27409956
(4R)-3-(2-acetamidoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 28199441

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (CID 27409958) is 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is XIEVFLJCUYUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c11-5(9-2-1-7(13)14)3-10-6(12)4-16-8(10)15/h1-4H2,(H,9,11)(H,13,14).
What are the key properties of 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 246.24 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 27409958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).