CAS 149057-19-2|Piperazine-2-carboxylic acid, N1-BOC protected, N4-CBZ protected 97%|4-[(benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid|4-(Benzyloxycarbonyl)-1-(tert-butoxyc...

General Information

Structure

Molecular Formula

C₁₈H₂₄N₂O₆

Molecular Mass

364.39296

Exact Mass

364.1634365

Charge

InChI

InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)

InChIKey

SREPAMKILVVDSP-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

Isomeric Smiles

O(Cc1ccccc1)C(=O)N1CC(N(CC1)C(=O)OC(C)(C)C)C(=O)O

Calculated Properties

JChem

Acid pKa

3.6909437

H Acceptors

H Donor

LogD (pH = 5.5)

0.39047647

LogD (pH = 7.4)

-1.1110669

Log P

2.1980324

Molar Refractivity

92.0759

Polarizability

36.108807

Polar Surface Area

96.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Piperazine-2-carboxylic acid, N1-BOC protected, N4-CBZ protected 97%4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acidPiperazine-1,2,4-tricarboxylic acid 4-benzyl ester 1-tert-butyl ester

IUPAC Traditional name

4-[(benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

IUPAC name

4-[(benzyloxy)carbonyl]-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD02683055MFCD01631192

CAS Number

149057-19-2

PubChem SID

162077650