Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

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CAS
939757-91-2
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Purity
96%
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Catalog Number

ACM939757912

Product Name

Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

Structure

Structure

CAS

939757-91-2

Category

Heterocyclic Organic Compound

Synonyms

939757-91-2, 4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, AGN-PC-00VA7F, SureCN13858719, Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid, AKOS015841224, A844757, Boc-(?-trans-4-(3-chloro-phenyl)-pyrrolidine-3-carboxylic acid, 4-(3-Chloro-phenyl)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester, 4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid

IUPAC Name

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

Molecular Weight

325.787300 [g/mol]

Molecular Formula

C16H20ClNO4

Canonical SMILES

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=CC=C2)Cl

InChI Key

JWDQWZPPUIYEEZ-UHFFFAOYSA-N

Boiling Point

464.4ºC at 760 mmHg

Flash Point

234.7ºC

Density

1.275g/cm³

Exact Mass

325.10800

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?

The molecular formula is C16H20ClNO4.

When was Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid created?

It was created on July 19, 2005.

What is the IUPAC name of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?

The IUPAC name is (3S,4R)-4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

What is the InChIKey of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?

The InChIKey is JWDQWZPPUIYEEZ-QWHCGFSZSA-N.

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

The molecular weight is 325.79 g/mol.

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

There is 1 hydrogen bond donor count.

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

The topological polar surface area is 66.8 Å².

Is Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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

There are 2 defined atom stereocenter counts.

How many rotatable bond counts are there in Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?

There are 4 rotatable bond counts.

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