(S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one

• Catalog Number: ACMA00002651
• Category: Ethers
• Molecular Weight: 334.37
• Molecular Formula: C₁₇H₁₇NO₄
• Hazard Statements: H319
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The molecular formula is C17H22N2O5.

What are the synonyms for (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The synonyms include 148842-86-8, (S)-BOC-4-AMINO-2-CARBOXYMETHYL-1,3,4,5-TETRAHYDRO-2H-[2]-BENZAZEPIN-3-ONE, 2-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid, Boc-(S)-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]benzazepin-3-one, and MFCD04112676.

What is the molecular weight of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The molecular weight is 334.4 g/mol.

What is the IUPAC name of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The IUPAC name is 2-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid.

What is the InChI of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The InChI is InChI=1S/C17H22N2O5/c1-17(2,3)24-16(23)18-13-8-11-6-4-5-7-12(11)9-19(15(13)22)10-14(20)21/h4-7,13H,8-10H2,1-3H3,(H,18,23)(H,20,21)/t13-/m0/s1.

What is the InChIKey of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The InChIKey is QOYRVPXTPVMTHE-ZDUSSCGKSA-N.

What is the canonical SMILES of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The canonical SMILES is CC(C)(C)OC(=O)NC1CC2=CC=CC=C2CN(C1=O)CC(=O)O.

What is the XLogP3-AA of (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one?

The XLogP3-AA is 1.6.

How many hydrogen bond donor counts does (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does (S)-Boc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one have?

It has 5 hydrogen bond acceptor counts.