Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid

• Catalog Number: ACMA00002839
• Category: Ethers
• Molecular Weight: 304.34
• Molecular Formula: C₁₆H₁₆O₄
• Hazard Statements: H317
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The molecular formula is C16H20N2O4.

What is the molecular weight of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The molecular weight is 304.34 g/mol.

What is the IUPAC name of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The IUPAC name is (3R)-4-(2-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

What is the InChI of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The InChI is InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(9-14(19)20)8-11-6-4-5-7-12(11)10-17/h4-7,13H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1.

What is the InChIKey of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The InChIKey is HBMUTHPYXNFHBB-CYBMUJFWSA-N.

What is the canonical SMILES of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The canonical SMILES is CC(C)(C)OC(=O)NC(CC1=CC=CC=C1C#N)CC(=O)O.

What is the isomeric SMILES of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The isomeric SMILES is CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1C#N)CC(=O)O.

What is the CAS number of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The CAS number is 269726-80-9.

What is the XLogP3-AA value of Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid?

The XLogP3-AA value is 2.2.

Is Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid a canonicalized compound?

Yes, Boc-(R)-3-amino-4-(2-cyano-phenyl)-butyric acid is canonicalized.