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

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CAS
959581-02-3
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Purity
96%
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Catalog Number

ACM959581023

Product Name

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

CAS

959581-02-3

Category

Heterocyclic Organic Compound

Synonyms

959581-02-3, SureCN13858400, Trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid, A845516, Boc-(trans-4-(2-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, 1-tert-butoxycarbonyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid, 4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid, 4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

IUPAC Name

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

Molecular Weight

309.332703 [g/mol]

Molecular Formula

C16H20FNO4

InChI Key

LNANJBYDRSFKDR-UHFFFAOYSA-N

Exact Mass

309.13800

H-Bond Acceptor

5

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

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

The molecular formula is C16H20FNO4.

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

The molecular weight is 309.33 g/mol.

What is the IUPAC Name of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?

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

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

The InChI is InChI=1S/C16H20FNO4/c1-16(2,3)22-15(21)18-8-11(12(9-18)14(19)20)10-6-4-5-7-13(10)17/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/t11-,12+/m0/s1.

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

The InChIKey is LNANJBYDRSFKDR-NWDGAFQWSA-N.

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

The Canonical SMILES is CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2F.

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

There is 1 hydrogen bond donor count.

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

There are 5 hydrogen bond acceptor counts.

What is the exact mass of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?

The exact mass is 309.13763628 g/mol.

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

Yes, it is a canonicalized compound according to PubChem.

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