Aceglutamide

• CAS: 2490-97-3
• Catalog Number: ACM2490973
• Category: Other Products
• Molecular Weight: 188.18
• Molecular Formula: C7H12N2O4
• Synonyms: N2-Acetyl-L-glutamine
• IUPAC Name: (2S)-2-Acetamido-5-amino-5-oxopentanoic acid
• Canonical SMILES: CC(=O)NC(CCC(=O)N)C(=O)O
• InChI: InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1
• InChI Key: KSMRODHGGIIXDV-YFKPBYRVSA-N
• Boiling Point: 604.9±50.0 °C
• Melting Point: 206-208 °C
• Flash Point: 319.6 °C
• Density: 1.382 g/cm³
• Appearance: White crystalline
• Storage: 2-8 °C
• Complexity: 227
• Exact Mass: 188.07970687
• Isomeric SMILES: CC(=O)N[C@@H](CCC(=O)N)C(=O)O
• Monoisotopic Mass: 188.07970687
• pKa: 3.52±0.10(Predicted)
• Safety Description: 22-24/25
• Topological Polar Surface Area: 110 Ų

Custom Q&A

What is the molecular formula of Aceglutamide?

The molecular formula of Aceglutamide is C7H12N2O4.

What is the molecular weight of Aceglutamide?

The molecular weight of Aceglutamide is 188.18 g/mol.

What is the IUPAC name of Aceglutamide?

The IUPAC name of Aceglutamide is (2S)-2-acetamido-5-amino-5-oxopentanoic acid.

What is the Canonical SMILES representation of Aceglutamide?

The Canonical SMILES representation of Aceglutamide is CC(=O)NC(CCC(=O)N)C(=O)O.

How many hydrogen bond donor count does Aceglutamide have?

Aceglutamide has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor count does Aceglutamide have?

Aceglutamide has 4 hydrogen bond acceptor count.

What is the exact mass of Aceglutamide?

The exact mass of Aceglutamide is 188.07970687 g/mol.

What is the Topological Polar Surface Area of Aceglutamide?

The Topological Polar Surface Area of Aceglutamide is 110 ?2.

How many heavy atoms are present in Aceglutamide?

Aceglutamide has 13 heavy atoms.

What is the Synonym of Aceglutamide?

Some synonyms of Aceglutamide are N-Acetyl-L-glutamine, N-Acetylglutamine, and L-Glutamine, N2-acetyl.

Synthetic Use

Upstream Synthesis Route 1

• 56-85-9
• 108-24-7

• 2490-97-3

Reference: [1] Synthetic Communications, 1992, vol. 22, # 2, p. 257 - 264
[2] Biochemical Journal, 1939, vol. 33, p. 674

Upstream Synthesis Route 2

• 71989-20-3
• 64-19-7

• 2490-97-3

Reference: [1] Asian Journal of Chemistry, 2014, vol. 26, # 10, p. 2941 - 2944

Upstream Synthesis Route 3

• 56-85-9
• 108-24-7

• 2490-97-3

Reference: [1]Synthetic Communications,1992,vol. 22,p. 257 - 264
[2]Biochemical Journal,1939,vol. 33,p. 674

Downstream Synthesis Route 1

• 2490-97-3
• 22356-89-4

• 138850-06-3

Reference: [1]Journal of the Chemical Society. Chemical communications,1991,p. 1667 - 1668

* For details of the synthesis route, please refer to the original source to ensure accuracy.