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Structure

Benzenebutanoic acid,3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS
919988-44-6
Catalog Number
ACM919988446
Category
Other Products
Molecular Formula
C15H20BrNO4

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Specification

Synonyms
Boc-(S)-3-Amino-4-(3-bromo-phenyl)-butyric acid
What is the molecular weight of Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

The molecular weight is 358.23 g/mol.

What is the IUPAC name of Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

The IUPAC name is (3S)-3-amino-4-(3-bromophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

What is the InChIKey of Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

The InChIKey is CBHIBTLFEQSSCV-AMGKYWFPSA-N.

How many hydrogen bond donor counts does Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]- have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

The topological polar surface area is 89.6 Å2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Who computed the exact mass of Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

The exact mass was computed by PubChem.

What is the XLogP3-AA value of Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

The XLogP3-AA value is -0.2.

How many heavy atoms are present in Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-?

There are 21 heavy atoms present in the compound.

When was Benzenebutanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]- created and last modified?

The compound was created on 2018-09-19 and last modified on 2023-12-30.

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