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trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid

CAS
959577-50-5
Catalog Number
ACM959577505
Category
Other Products
Molecular Weight
336.339800 [g/mol]
Molecular Formula
C16H20N2O6

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Specification

Synonyms
959577-50-5, Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, A845513, Boc-(trans-4-(3-nitro-phenyl)-pyrrolidine-3-carboxylic acid, 1-tert-butoxycarbonyl-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(3-nitrophenyl)-3-pyrrolidinecarboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
IUPAC Name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
InChI Key
PNIVAHKGWKAAIG-UHFFFAOYSA-N
Exact Mass
336.13200
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?

The molecular formula is C16H20N2O6.

What are the synonyms for trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?

Some synonyms include Boc-(+/-)-trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid and (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid.

What is the molecular weight of trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?

The molecular weight is 336.34 g/mol.

What is the InChIKey for trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?

The InChIKey is PNIVAHKGWKAAIG-OLZOCXBDSA-N.

How many hydrogen bond donor counts does trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value for trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?

The XLogP3-AA value is 2.

What is the topological polar surface area of trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?

The topological polar surface area is 113 Å2.

How many defined atom stereocenter counts does trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid have?

It has 2 defined atom stereocenter counts.

Is trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid a canonicalized compound?

Yes, it is a canonicalized compound.

How many rotatable bond counts does trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid have?

It has 4 rotatable bond counts.

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