CAS
913388-58-6 Purity
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913388-58-6 Purity
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![2-Borono-6-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester](https://resource.alfa-chemistry.com/structure/913388-59-7.gif)
![1H-Indole-1-carboxylic acid,2-borono-5-[2-(4-morpholinyl)ethoxy]-,1-(1,1-dimethylethyl)ester](https://resource.alfa-chemistry.com/structure/913388-60-0.gif)
![2-Borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester](https://resource.alfa-chemistry.com/structure/913388-66-6.gif)
![2-Borono-5-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]amino]1h-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester](https://resource.alfa-chemistry.com/structure/913388-67-7.gif)
![1H-Indole-1-carboxylic acid,2-borono-5-[2-(1-piperidinyl)ethoxy]-,1-(1,1-dimethylethyl)ester](https://resource.alfa-chemistry.com/structure/913388-68-8.gif)
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2-Borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester
CAS
913388-61-1
Catalog Number
ACM913388611
Category
Other Products
Molecular Formula
C20H30BN3O5
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Specification
Synonyms
1H-Indole-1-carboxylic acid, 2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-, 1-(1,1-dimethylethyl) ester
What is the molecular formula of 2-Borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1H-indole-1-carboxylic acid?
The molecular formula is C20H30BN3O5.
When was this compound created?
It was created on July 12, 2012.
What is the IUPAC name of this compound?
The IUPAC name is [5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
What is the Canonical SMILES of this compound?
The Canonical SMILES is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CN3CCN(CC3)CCO)(O)O.
What is the molecular weight of this compound?
The molecular weight is 403.3 g/mol.
How many hydrogen bond donor counts does this compound have?
It has 3 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of this compound?
The hydrogen bond acceptor count is 7.
What is the topological polar surface area of this compound?
The topological polar surface area is 98.4 Å2.
How many rotatable bond counts does this compound have?
It has 7 rotatable bond counts.
Is 2-Borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1H-indole-1-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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