5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H15N3O5 — CID 106098136

About 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 106098136) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• PubChem CID: 106098136
• Molecular Formula: C10H15N3O5
• Molecular Weight: 257.25 g/mol
• Exact Mass: 257.10
• IUPAC Name: 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• SMILES: CC(C)(CC(N)=O)NC(=O)C1CC(C(=O)O)=NO1
• InChI: InChI=1S/C10H15N3O5/c1-10(2,4-7(11)14)12-8(15)6-3-5(9(16)17)13-18-6/h6H,3-4H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
• InChIKey: KJCZPVLEKXXPFO-UHFFFAOYSA-N
• XLogP: -1.01
• TPSA: 131.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.25
LogP ≤ 5	-1.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 106098136) is 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(C)(CC(N)=O)NC(=O)C1CC(C(=O)O)=NO1.

What is the InChIKey of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The InChIKey is KJCZPVLEKXXPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-10(2,4-7(11)14)12-8(15)6-3-5(9(16)17)13-18-6/h6H,3-4H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17).

What are the key properties of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106098136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).