CAS 955016-25-8|CAS 175671-49-5|(2S,4R)-1-[(tert-butoxy)carbonyl]-4-hydroxypiperidine-2-carboxylic acid|(2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acid|(2S,4R)-1-(tert-Butoxyca...

General Information

Structure

Molecular Formula

C₁₁H₁₉NO₅

Molecular Mass

245.27226

Exact Mass

245.12632271

Charge

InChI

InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1

InChIKey

GCAZZUFIDGXTDA-SFYZADRCSA-N

Canonic Smiles

O[C@@H]1CCN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C

Isomeric Smiles

N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](CC1)O

Calculated Properties

JChem

Acid pKa

3.8970623

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5102131

LogD (pH = 7.4)

-3.1167927

Log P

0.09831378

Molar Refractivity

59.2427

Polarizability

23.436245

Polar Surface Area

87.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acid

Synonyms

(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxyhexahydro-2-pyridinecarboxylic acid(2S,4R)-4-Hydroxypiperidine-2-carboxylic acid, N-BOC protected 95+%(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acid(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acidCIS-4-hydroxy-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester

IUPAC name

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-hydroxypiperidine-2-carboxylic acid

Names and Identifiers

Registration numbers

CAS Number

955016-25-8175671-49-5

MDL Number

MFCD10688305MFCD04112667

PubChem CID

2755980

PubChem SID

162056291