3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C13H24N2O3S — CID 63781187

IUPAC3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C13H24N2O3S/c1-6-10-15(9(7-19-10)11(16)17)12(18)14(5)8-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyMAAVIDWKNQVIEU-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.32
Rot. Bonds3

About 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781187) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781187
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C13H24N2O3S/c1-6-10-15(9(7-19-10)11(16)17)12(18)14(5)8-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyMAAVIDWKNQVIEU-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
2-ethyl-3-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104553162
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
2-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 112662886
3-[3-(dimethylamino)propyl-ethylcarbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 102995404
2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79488714
2-ethyl-3-[(4-fluorophenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781546
2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780902
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757
2-ethyl-3-[methyl-(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 82743062
2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780937

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63781187) is 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N(C)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MAAVIDWKNQVIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-6-10-15(9(7-19-10)11(16)17)12(18)14(5)8-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).