3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C15H27NO3S — CID 63792861

IUPAC3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCCC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C15H27NO3S/c1-3-4-5-6-7-8-9-10-14(17)16-12(2)20-11-13(16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyBNLVVPISWRZMTO-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.50
Rot. Bonds9

About 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792861) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792861
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCCC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C15H27NO3S/c1-3-4-5-6-7-8-9-10-14(17)16-12(2)20-11-13(16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyBNLVVPISWRZMTO-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic 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-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
2-methyl-3-(4-phenoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792319
2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63903192
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-(4-oxopentanethioyl)-1,3-thiazolidine-4-carboxylic acid
CID 54507182
diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate
CID 89483188
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791
2-methyl-3-[2-(prop-2-enylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 79279319
2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792161

Frequently Asked Questions

What is the IUPAC name of 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63792861) is 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCCCCCCCCC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BNLVVPISWRZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-3-4-5-6-7-8-9-10-14(17)16-12(2)20-11-13(16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.45 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).