4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid

• CAS: 213772-01-1
• Catalog Number: ACM213772011
• Category: Amines
• Molecular Weight: 293.36
• Molecular Formula: C₁₆H₁₈N₂
• Synonyms: CHEMBRDG-BB 4011737;4-[BENZYL(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C16H23NO4.

What is the molecular weight of the compound?

The molecular weight is 293.36 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(11-7-10-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,18,19).

What is the InChIKey of the compound?

The InChIKey is PCKHPPARUKMUTN-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)(C)OC(=O)N(CCCC(=O)O)CC1=CC=CC=C1.

What is the CAS number of the compound?

The CAS number is 213772-01-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.5.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond count does the compound have?

The compound has 8 rotatable bond count.