Boc-(S)-2-tetrahydroisoquinoline acetic acid

• Catalog Number: ACMA00002781
• Category: Ethers
• Molecular Weight: 291.34
• Molecular Formula: C₁₆H₁₉NO
• Hazard Statements: H302
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The molecular formula is C16H21NO4.

What is the molecular weight of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The molecular weight is 291.34 g/mol.

When was Boc-(S)-2-tetrahydroisoquinoline acetic acid created?

It was created on July 19, 2005.

When was Boc-(S)-2-tetrahydroisoquinoline acetic acid last modified?

It was last modified on November 25, 2023.

What is the IUPAC name of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The IUPAC name is 2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid.

What is the InChI of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The InChI is InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12-7-5-4-6-11(12)8-13(17)9-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)/t13-/m0/s1.

What is the InChIKey of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The InChIKey is ZQBQAMXKTHNSQM-ZDUSSCGKSA-N.

What is the canonical SMILES of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The canonical SMILES is CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CC(=O)O.

What is the XLogP3-AA value of Boc-(S)-2-tetrahydroisoquinoline acetic acid?

The XLogP3-AA value is 2.2.

Is Boc-(S)-2-tetrahydroisoquinoline acetic acid a canonicalized compound?

Yes, it is a canonicalized compound.