2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid

C11H18N2O3S — CID 21151021

IUPAC2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid
SMILESCN1C(=O)C(N2CCCCC2)SC1CC(=O)O
InChIInChI=1S/C11H18N2O3S/c1-12-8(7-9(14)15)17-11(10(12)16)13-5-3-2-4-6-13/h8,11H,2-7H2,1H3,(H,14,15)
InChIKeyWMFZSSYFBFERCX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.80
Rot. Bonds3

About 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid

2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid (PubChem CID 21151021) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid
PubChem CID21151021
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid
SMILESCN1C(=O)C(N2CCCCC2)SC1CC(=O)O
InChIInChI=1S/C11H18N2O3S/c1-12-8(7-9(14)15)17-11(10(12)16)13-5-3-2-4-6-13/h8,11H,2-7H2,1H3,(H,14,15)
InChIKeyWMFZSSYFBFERCX-UHFFFAOYSA-N
XLogP0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid?
The IUPAC name of 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid (CID 21151021) is 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid is CN1C(=O)C(N2CCCCC2)SC1CC(=O)O.
What is the InChIKey of 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid?
The InChIKey is WMFZSSYFBFERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-12-8(7-9(14)15)17-11(10(12)16)13-5-3-2-4-6-13/h8,11H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid?
2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid has a molecular weight of 258.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetic acid is sourced from PubChem (CID 21151021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).