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

C5H7NO3S — CID 4962399

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1CCSC1=O
InChIInChI=1S/C5H7NO3S/c7-4(8)3-6-1-2-10-5(6)9/h1-3H2,(H,7,8)
InChIKeyJUGYDXVBEGEZGR-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.24
Rot. Bonds2

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

2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 4962399) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
PubChem CID4962399
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1CCSC1=O
InChIInChI=1S/C5H7NO3S/c7-4(8)3-6-1-2-10-5(6)9/h1-3H2,(H,7,8)
InChIKeyJUGYDXVBEGEZGR-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Thiazolidineacetic acid, 4-oxo-2-thioxo-
CID 79793
(2,4-Dioxo-1,3-thiazolidin-3-yl)acetic acid
CID 2770836
2-(4-Oxo-1,3-thiazolidin-3-yl)acetic acid
CID 5147257
3-Acetyl-1,3-thiazolidine-2-carboxylic acid
CID 11389698
2-(1,3-Thiazolidin-3-yl)acetic acid
CID 18365948
3-Methyl-1,3-thiazolidine-2-carboxylic acid
CID 20699547
2-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid
CID 81296533
2-Fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
CID 81297300
3-(2,2,2-Trifluoroacetyl)-1,3-thiazolidine-2-carboxylic acid
CID 165911202
2-(2-Sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
CID 915535
2-(2,4-Dioxo-1,3-thiazolidin-3-yl)acetate
CID 7058998
2-Oxo-2-(1,3-thiazolidin-3-yl)acetic acid
CID 20095332

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid (CID 4962399) is 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid is O=C(O)CN1CCSC1=O.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is JUGYDXVBEGEZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c7-4(8)3-6-1-2-10-5(6)9/h1-3H2,(H,7,8).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 4962399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).