3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C12H20N2O4S — CID 114096642

IUPAC3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NC1(C)CCOC1C
InChIInChI=1S/C12H20N2O4S/c1-7-12(3,4-5-18-7)13-11(17)14-8(2)19-6-9(14)10(15)16/h7-9H,4-6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXANCTKPYJJTUMR-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.11
Rot. Bonds2

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

3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114096642) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID114096642
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NC1(C)CCOC1C
InChIInChI=1S/C12H20N2O4S/c1-7-12(3,4-5-18-7)13-11(17)14-8(2)19-6-9(14)10(15)16/h7-9H,4-6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXANCTKPYJJTUMR-UHFFFAOYSA-N
XLogP1.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,2-dimethyloxan-4-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 83028518
2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791448
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791
3-[(2-aminocyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237660
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106346742
3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779442
3-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995740
3-(3,5-dioxopiperazine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 66061442
3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791466
3-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 114096642) is 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NC1(C)CCOC1C.
What is the InChIKey of 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XANCTKPYJJTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-7-12(3,4-5-18-7)13-11(17)14-8(2)19-6-9(14)10(15)16/h7-9H,4-6H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114096642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).