(S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid

• Catalog Number: ACMA00000899
• Category: Amines
• Molecular Weight: 233.19
• Molecular Formula: C₁₀H₁₀ClNO₃
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The molecular formula is C10H10F3NO2.

What is the molecular weight of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The molecular weight is 233.19 g/mol.

What is the IUPAC name of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The IUPAC name is (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid.

What is the InChI of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1.

What is the InChIKey of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The InChIKey is MXKROQQTKYAUJB-QMMMGPOBSA-N.

What is the canonical SMILES of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The canonical SMILES is C1=CC=C(C(=C1)C(CC(=O)O)N)C(F)(F)F.

What is the isomeric SMILES of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The isomeric SMILES is C1=CC=C(C(=C1)[C@H](CC(=O)O)N)C(F)(F)F.

What is the XLogP3-AA value of (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

The XLogP3-AA value is -1.1.

How many hydrogen bond donor counts are there in (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

There are 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in (S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid?

There are 6 hydrogen bond acceptor counts.