4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid

C15H21N3O5S — CID 71631934

About 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid (PubChem CID 71631934) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
• PubChem CID: 71631934
• Molecular Formula: C15H21N3O5S
• Molecular Weight: 355.42 g/mol
• Exact Mass: 355.12
• IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)C(C(=O)O)C1
• InChI: InChI=1S/C15H21N3O5S/c1-15(2,3)23-14(22)18-6-5-17(10(8-18)13(20)21)9-11(19)12-16-4-7-24-12/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,21)
• InChIKey: VUZYNEWYXBJCNQ-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 100.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.42
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?

The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid (CID 71631934) is 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid.

What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?

The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)C(C(=O)O)C1.

What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?

The InChIKey is VUZYNEWYXBJCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-15(2,3)23-14(22)18-6-5-17(10(8-18)13(20)21)9-11(19)12-16-4-7-24-12/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,21).

What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?

4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 71631934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).