2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H21N3O4S — CID 63782148

IUPAC2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCNC(=O)CNC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C12H21N3O4S/c1-3-5-13-9(16)6-14-12(19)15-8(11(17)18)7-20-10(15)4-2/h8,10H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyWGTSIJVFWBWQBE-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.46
Rot. Bonds6

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

2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63782148) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63782148
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCNC(=O)CNC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C12H21N3O4S/c1-3-5-13-9(16)6-14-12(19)15-8(11(17)18)7-20-10(15)4-2/h8,10H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyWGTSIJVFWBWQBE-UHFFFAOYSA-N
XLogP0.46
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63782148) is 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCCNC(=O)CNC(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WGTSIJVFWBWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-3-5-13-9(16)6-14-12(19)15-8(11(17)18)7-20-10(15)4-2/h8,10H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).