3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid

C10H12N2O4S — CID 168704039

IUPAC3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(N2CC(O)CC2=O)n1
InChIInChI=1S/C10H12N2O4S/c13-7-3-8(14)12(4-7)10-11-6(5-17-10)1-2-9(15)16/h5,7,13H,1-4H2,(H,15,16)
InChIKeyGADPPVANPFKCJP-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.26
Rot. Bonds4

About 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 168704039) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID168704039
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(N2CC(O)CC2=O)n1
InChIInChI=1S/C10H12N2O4S/c13-7-3-8(14)12(4-7)10-11-6(5-17-10)1-2-9(15)16/h5,7,13H,1-4H2,(H,15,16)
InChIKeyGADPPVANPFKCJP-UHFFFAOYSA-N
XLogP0.26
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid (CID 168704039) is 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(N2CC(O)CC2=O)n1.
What is the InChIKey of 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is GADPPVANPFKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-7-3-8(14)12(4-7)10-11-6(5-17-10)1-2-9(15)16/h5,7,13H,1-4H2,(H,15,16).
What are the key properties of 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 256.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 168704039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).