4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid

C9H17NO4S — CID 62049092

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1CCCS1(=O)=O
InChIInChI=1S/C9H17NO4S/c1-9(2,5-4-8(11)12)10-6-3-7-15(10,13)14/h3-7H2,1-2H3,(H,11,12)
InChIKeyDPKRILXHVVVQLA-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.67
Rot. Bonds4

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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid (PubChem CID 62049092) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
PubChem CID62049092
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1CCCS1(=O)=O
InChIInChI=1S/C9H17NO4S/c1-9(2,5-4-8(11)12)10-6-3-7-15(10,13)14/h3-7H2,1-2H3,(H,11,12)
InChIKeyDPKRILXHVVVQLA-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic 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

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoic acid
CID 64700411
3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine
CID 83822487
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
CID 117029844
2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 158323141
3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol
CID 106172438
4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 62049282
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-1-ol
CID 106145959
3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
4-[2-(1,1-dioxothiazinan-2-yl)ethyl]-5,5-dimethylhexanoic acid
CID 116814458
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
CID 106146168
4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-4-methylpentanoic acid
CID 62044608

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid (CID 62049092) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid is CC(C)(CCC(=O)O)N1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid?
The InChIKey is DPKRILXHVVVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-9(2,5-4-8(11)12)10-6-3-7-15(10,13)14/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid is sourced from PubChem (CID 62049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).