2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

C10H12N2O4S — CID 103357450

IUPAC2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCC1(O)CCN(C(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C10H12N2O4S/c1-10(16)2-3-12(5-10)8(13)7-11-6(4-17-7)9(14)15/h4,16H,2-3,5H2,1H3,(H,14,15)
InChIKeyZUWJSONGQXCOAK-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.44
Rot. Bonds2

About 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103357450) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID103357450
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCC1(O)CCN(C(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C10H12N2O4S/c1-10(16)2-3-12(5-10)8(13)7-11-6(4-17-7)9(14)15/h4,16H,2-3,5H2,1H3,(H,14,15)
InChIKeyZUWJSONGQXCOAK-UHFFFAOYSA-N
XLogP0.44
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 103357450) is 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is CC1(O)CCN(C(=O)c2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZUWJSONGQXCOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-10(16)2-3-12(5-10)8(13)7-11-6(4-17-7)9(14)15/h4,16H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103357450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).