3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C13H24N2O3S — CID 65042791

IUPAC3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(CC)(CC)NC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C13H24N2O3S/c1-5-13(6-2,7-3)14-12(18)15-9(4)19-8-10(15)11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyCQGVUCBWXBFJEC-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.51
Rot. Bonds5

About 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65042791) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID65042791
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(CC)(CC)NC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C13H24N2O3S/c1-5-13(6-2,7-3)14-12(18)15-9(4)19-8-10(15)11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyCQGVUCBWXBFJEC-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 64642077
2-methyl-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114188110
3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780154
3-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995353
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781178
3-[(2-aminocyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237660

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 65042791) is 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCC(CC)(CC)NC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CQGVUCBWXBFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-5-13(6-2,7-3)14-12(18)15-9(4)19-8-10(15)11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65042791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).