3-(2,5-Dioxoimidazolidin-4-yl)propanoic acid

• CAS: 5624-26-0
• Catalog Number: ACM5624260
• Category: Main Products
• Molecular Weight: 0
• Molecular Formula: C₆H₈N₂O₄
• Synonyms: Hydantoin-5-propionic acid;3-(2,5-diketoimidazolidin-4-yl)propionic acid;3-(2,5-dioxoimidazolidin-4-yl)propanoic acid(SALTDATA: FREE);1-(2,4-(3H,5H)Imidazoledione)propionic acid;4-Imidazolidinepropanoic acid, 2,5-dioxo-;HYDANTOIN-5-PROPIONATE;Hydantoin-propionate
• IUPAC Name: 3-(2,5-dioxoimidazolidin-4-yl)propanoicacid
• Canonical SMILES: C(CC(=O)O)C1C(=O)NC(=O)N1
• InChI Key: VWFWNXQAMGDPGG-UHFFFAOYSA-N
• Density: 1.405g/cm³
• Appearance: Solid
• Exact Mass: 172.04800

Custom Q&A

What is the IUPAC name of the compound?

Answer: The IUPAC name of the compound is 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid.

What is the molecular formula of the compound?

Answer: The molecular formula of the compound is C6H8N2O4.

What are some synonyms for the compound?

Answer: Some synonyms for the compound include hydantoin-5-propionic acid, 3-(2,5-dioxo-imidazolidin-4-yl)-propionic acid, and 2,5-dioxo-4-imidazolidinepropanoic acid.

What is the CAS number of the compound?

Answer: The CAS number of the compound is 5624-26-0.

What are the computed properties of the compound?

Answer: The computed properties of the compound include a molecular weight of 172.14 g/mol, an XLogP3 value of -1.2, a hydrogen bond donor count of 3, a hydrogen bond acceptor count of 4, a rotatable bond count of 3, an exact mass of 172.04840674 g/mol, a monoisotopic mass of 172.04840674 g/mol, a topological polar surface area of 95.5 Ų, and a heavy atom count of 12.

What is the InChI of the compound?

Answer: The InChI of the compound is "InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)".

What is the InChIKey of the compound?

Answer: The InChIKey of the compound is "VWFWNXQAMGDPGG-UHFFFAOYSA-N".

What is the exact mass of the compound?

Answer: The exact mass of the compound is 172.04840674 g/mol.

What is the hydrogen bond donor count of the compound?

Answer: The hydrogen bond donor count of the compound is 3.

What is the hydrogen bond acceptor count of the compound?

Answer: The hydrogen bond acceptor count of the compound is 4.