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

C8H13NO3S — CID 59555264

IUPAC2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)SC1(C)C
InChIInChI=1S/C8H13NO3S/c1-8(2)9(3)7(12)5(13-8)4-6(10)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyZVLRKALXWKDBNN-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.77
Rot. Bonds2

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

2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 59555264) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID59555264
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)SC1(C)C
InChIInChI=1S/C8H13NO3S/c1-8(2)9(3)7(12)5(13-8)4-6(10)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyZVLRKALXWKDBNN-UHFFFAOYSA-N
XLogP0.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

2-(3-Methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562598
(3-Ethyl-2,4-dioxo-thiazolidin-5-yl)-acetic acid
CID 2793672
(3-Methyl-2,4-dioxo-thiazolidin-5-yl)-acetic acid
CID 2793673
2-(3-Butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562600
2-(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 59121438
2-(3-Butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562601
2-[(5S)-3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 125475773
2-[3-(2-Methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 127244272
2-(4-Oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 132517772
(2,4-Dioxo-3-propyl-1,3-thiazolidin-5-YL)acetic acid
CID 2793671
4-(5-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
CID 4762457
1-Thia-4-azaspiro[4.5]decane-2-acetic acid, 4-octyl-3-oxo-
CID 15955380

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid (CID 59555264) is 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid is CN1C(=O)C(CC(=O)O)SC1(C)C.
What is the InChIKey of 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is ZVLRKALXWKDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-8(2)9(3)7(12)5(13-8)4-6(10)11/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 203.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 59555264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).