3-tert-Butoxycarbonylamino-3-(3,4-dichloro-phenyl)-propionic acid

• Catalog Number: ACMA00001117
• Category: Amines
• Molecular Weight: 334.20
• Molecular Formula: C₁₄H₁₆ClNO
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C14H17Cl2NO4.

What is the molecular weight of the compound?

The molecular weight is 334.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-(3,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19).

What is the InChIKey of the compound?

The InChIKey is WERAVAVZZMWCOE-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl.

What is the CAS number of the compound?

The CAS number is 193633-52-2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.2.

How many hydrogen bond donor atoms are in the compound?

There are 2 hydrogen bond donor atoms in the compound.

How many rotatable bonds are in the compound?

There are 6 rotatable bonds in the compound.