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

C8H13NO3S — CID 130399906

IUPAC2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCCC1SC(CC(=O)O)C(=O)N1C
InChIInChI=1S/C8H13NO3S/c1-3-6-9(2)8(12)5(13-6)4-7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLSUAMKQKVIZCDP-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.77
Rot. Bonds3

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

2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 130399906) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID130399906
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCCC1SC(CC(=O)O)C(=O)N1C
InChIInChI=1S/C8H13NO3S/c1-3-6-9(2)8(12)5(13-6)4-7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLSUAMKQKVIZCDP-UHFFFAOYSA-N
XLogP0.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid (CID 130399906) is 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid is CCC1SC(CC(=O)O)C(=O)N1C.
What is the InChIKey of 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is LSUAMKQKVIZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-6-9(2)8(12)5(13-6)4-7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 203.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 130399906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).