1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C9H10N2O3S — CID 16781109

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C(=O)O)CC2=O)s1
InChIInChI=1S/C9H10N2O3S/c1-5-3-10-9(15-5)11-4-6(8(13)14)2-7(11)12/h3,6H,2,4H2,1H3,(H,13,14)
InChIKeyHGLAVQOZFTWMAY-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.89
Rot. Bonds2

About 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 16781109) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID16781109
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C(=O)O)CC2=O)s1
InChIInChI=1S/C9H10N2O3S/c1-5-3-10-9(15-5)11-4-6(8(13)14)2-7(11)12/h3,6H,2,4H2,1H3,(H,13,14)
InChIKeyHGLAVQOZFTWMAY-UHFFFAOYSA-N
XLogP0.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 16781109) is 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid is Cc1cnc(N2CC(C(=O)O)CC2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HGLAVQOZFTWMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5-3-10-9(15-5)11-4-6(8(13)14)2-7(11)12/h3,6H,2,4H2,1H3,(H,13,14).
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 16781109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).