4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid

C10H19NO4S — CID 79579929

IUPAC4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CC(C)CS1(=O)=O
InChIInChI=1S/C10H19NO4S/c1-7(2)4-9(10(12)13)11-5-8(3)6-16(11,14)15/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySZIFJZLMVIAQCX-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.77
Rot. Bonds4

About 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid

4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid (PubChem CID 79579929) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid
PubChem CID79579929
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CC(C)CS1(=O)=O
InChIInChI=1S/C10H19NO4S/c1-7(2)4-9(10(12)13)11-5-8(3)6-16(11,14)15/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySZIFJZLMVIAQCX-UHFFFAOYSA-N
XLogP0.77
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylsulfonylbutanoic acid
CID 79580426
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
CID 107155525
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
CID 127013325
2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]butanoic acid
CID 79580015
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanenitrile
CID 79579598
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid
CID 24744938
2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 118551219
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108752
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid (CID 79579929) is 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid is CC(C)CC(C(=O)O)N1CC(C)CS1(=O)=O.
What is the InChIKey of 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid?
The InChIKey is SZIFJZLMVIAQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)4-9(10(12)13)11-5-8(3)6-16(11,14)15/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid?
4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid is sourced from PubChem (CID 79579929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).