2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid

C8H12N2O4S — CID 43170576

IUPAC2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H12N2O4S/c11-6(9-5-7(12)13)1-2-10-3-4-15-8(10)14/h1-5H2,(H,9,11)(H,12,13)
InChIKeyFOGQHRIAYKKBPT-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.25
Rot. Bonds5

About 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid

2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid (PubChem CID 43170576) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid
PubChem CID43170576
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H12N2O4S/c11-6(9-5-7(12)13)1-2-10-3-4-15-8(10)14/h1-5H2,(H,9,11)(H,12,13)
InChIKeyFOGQHRIAYKKBPT-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetic acid
CID 477573
Glycine, N-((((dipropylamino)carbonyl)thio)acetyl)-
CID 43785
Glycine, N-[(2-oxo-4-thiazolidinyl)carbonyl]-
CID 9813095
N-acetyl-2-methylthiazolidine-4-carbonyl glycine
CID 129850204
2-[3-(2-Oxo-1,3-thiazolidin-3-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261466
3,3,3-Trifluoro-2-methyl-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]propanoic acid
CID 79796070
2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid
CID 28789995
2-[Methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 43211125
2-[[(2S)-2-(acetamidomethylsulfanyl)propanoyl]amino]acetic acid
CID 56627860
2-[2-(Acetamidomethylsulfanyl)propanoylamino]acetic acid
CID 57198462
3-[2-Nitrososulfanyl-2-(propanoylamino)acetyl]-1,3-thiazolidine-2-carboxylic acid
CID 57242003
2-[Carboxymethyl-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methyl]amino]acetic acid
CID 134104370

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid (CID 43170576) is 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid is O=C(O)CNC(=O)CCN1CCSC1=O.
What is the InChIKey of 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid?
The InChIKey is FOGQHRIAYKKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c11-6(9-5-7(12)13)1-2-10-3-4-15-8(10)14/h1-5H2,(H,9,11)(H,12,13).
What are the key properties of 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid?
2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid has a molecular weight of 232.26 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetic acid is sourced from PubChem (CID 43170576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).