trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid

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CAS
959577-51-6
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Purity
96%
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Catalog Number

ACM959577516

Product Name

trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid

CAS

959577-51-6

Category

Heterocyclic Organic Compound

Synonyms

959577-51-6, Trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid, A845514, Boc-(trans-4-(2-nitro-phenyl)-pyrrolidine-3-carboxylic acid, 1-tert-butoxycarbonyl-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid, 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(2-nitrophenyl)-3-pyrrolidinecarboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid

IUPAC Name

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid

Molecular Weight

336.339800 [g/mol]

Molecular Formula

C16H20N2O6

InChI Key

XZSAMWCPQNCJPS-UHFFFAOYSA-N

Exact Mass

336.13200

H-Bond Acceptor

6

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

The molecular formula is C16H20N2O6.

When was trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid created?

It was created on July 19, 2005.

What is the molecular weight of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

The molecular weight is 336.34 g/mol.

How many hydrogen bond donor counts are there in trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

The topological polar surface area is 113 Å2.

Is trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid a canonicalized compound?

Yes, it is a canonicalized compound.

What is the Canonical SMILES of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2[N+](=O)[O-]

How many defined atom stereocenter counts are there in trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

There are 2 defined atom stereocenter counts.

What is the XLogP3-AA value of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

The XLogP3-AA value is 2.

What is the InChIKey of trans-1-Boc-4-(2-nitrophenyl)pyrrolidine-3-carboxylic acid?

The InChIKey is XZSAMWCPQNCJPS-NWDGAFQWSA-N.

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