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

C11H19N3O4S — CID 106346742

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

3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 106346742) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 106346742
• Molecular Formula: C11H19N3O4S
• Molecular Weight: 289.36 g/mol
• Exact Mass: 289.11
• IUPAC Name: 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
• SMILES: CC(C)C(NC(=O)N1C(C)SCC1C(=O)O)C(N)=O
• InChI: InChI=1S/C11H19N3O4S/c1-5(2)8(9(12)15)13-11(18)14-6(3)19-4-7(14)10(16)17/h5-8H,4H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)
• InChIKey: HCBWXSWGJWECFZ-UHFFFAOYSA-N
• XLogP: 0.05
• TPSA: 112.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.36
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 106346742) is 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC(C)C(NC(=O)N1C(C)SCC1C(=O)O)C(N)=O.

What is the InChIKey of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is HCBWXSWGJWECFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-5(2)8(9(12)15)13-11(18)14-6(3)19-4-7(14)10(16)17/h5-8H,4H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17).

What are the key properties of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?

3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 106346742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).