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Structure

4-(3-Carboxy-pyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester

CAS
902835-85-2
Catalog Number
ACM902835852
Category
Other Products
Molecular Weight
307.34
Molecular Formula
C15H21N3O4

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Specification

Synonyms
4-(3-CARBOXY-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(3-Carboxypyridin-2-yl)piperazine, N1-BOC protected
What is the molecular formula of the compound?

The molecular formula is C15H21N3O4.

What is the molecular weight of the compound?

The molecular weight is 307.34 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid.

What is the InChIKey of the compound?

The InChIKey is RQDJPSKVYOSWDB-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 83.2.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.5.

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