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

C9H10N2O3S — CID 4962814

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C9H10N2O3S/c12-7-2-1-3-11(7)9-10-6(5-15-9)4-8(13)14/h5H,1-4H2,(H,13,14)
InChIKeyALIZCAWAWGTRCZ-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.90
Rot. Bonds3

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

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 4962814) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID4962814
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C9H10N2O3S/c12-7-2-1-3-11(7)9-10-6(5-15-9)4-8(13)14/h5H,1-4H2,(H,13,14)
InChIKeyALIZCAWAWGTRCZ-UHFFFAOYSA-N
XLogP0.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 4962814) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ALIZCAWAWGTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-7-2-1-3-11(7)9-10-6(5-15-9)4-8(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 226.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 4962814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).