5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

C8H8N2O3S — CID 4777977

IUPAC5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C8H8N2O3S/c11-6-3-5(7(12)13)4-10(6)8-9-1-2-14-8/h1-2,5H,3-4H2,(H,12,13)
InChIKeyDCYJXQAGAJYLHW-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.58
Rot. Bonds2

About 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 4777977) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID4777977
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C8H8N2O3S/c11-6-3-5(7(12)13)4-10(6)8-9-1-2-14-8/h1-2,5H,3-4H2,(H,12,13)
InChIKeyDCYJXQAGAJYLHW-UHFFFAOYSA-N
XLogP0.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid (CID 4777977) is 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2nccs2)C1.
What is the InChIKey of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is DCYJXQAGAJYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-6-3-5(7(12)13)4-10(6)8-9-1-2-14-8/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 212.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4777977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).