2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H19N3O4S — CID 63773781

IUPAC2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H19N3O4S/c1-2-10-15(8(6-20-10)11(17)18)12(19)14-7-3-4-9(16)13-5-7/h7-8,10H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyIDUDKRYWQUGHTG-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.21
Rot. Bonds3

About 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63773781) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63773781
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H19N3O4S/c1-2-10-15(8(6-20-10)11(17)18)12(19)14-7-3-4-9(16)13-5-7/h7-8,10H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyIDUDKRYWQUGHTG-UHFFFAOYSA-N
XLogP0.21
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64670251
3-[(1,1-dioxothian-4-yl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780556
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
3-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781931
2-ethyl-3-[(2-methoxycyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781723
2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
3-[(1-methylpiperidin-4-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780709
2-ethyl-3-[(1-methylimidazol-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63776197
2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791180
4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 78917414
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63773781) is 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IDUDKRYWQUGHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-10-15(8(6-20-10)11(17)18)12(19)14-7-3-4-9(16)13-5-7/h7-8,10H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63773781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).