CAS 1212176-33-4|(2R)-1-(tert-butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid|(2R)-1-(tert-Butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid|(2R)-4-Oxopiperidine-2-carboxylic acid, N-BOC protected...

General Information

Structure

Molecular Formula

C₁₁H₁₇NO₅

Molecular Mass

243.25638

Exact Mass

243.11067265

Charge

InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h8H,4-6H2,1-3H3,(H,14,15)/t8-/m1/s1

InChIKey

GPBCBXYUAJQMQM-MRVPVSSYSA-N

Canonic Smiles

O=C1CCN([C@H](C1)C(=O)O)C(=O)OC(C)(C)C

Isomeric Smiles

N1(CCC(=O)C[C@@H]1C(=O)O)C(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

3.7757654

H Acceptors

H Donor

LogD (pH = 5.5)

-0.96238786

LogD (pH = 7.4)

-2.510127

Log P

0.7632175

Molar Refractivity

57.9938

Polarizability

22.90177

Polar Surface Area

83.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2R)-1-(tert-butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid

Synonyms

(2R)-1-(tert-Butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid(2R)-4-Oxopiperidine-2-carboxylic acid, N-BOC protected(R)-1-Boc-4-哌啶酮-2-甲酸(R)-1-Boc-4-piperidone-2-carboxylic acid(R)-1-(tert-Butoxycarbonyl)-4,4-diethoxypiperidine-2-carboxylic Acid(R)-1-Boc-4-oxopipecolic acid(R)-(+)-1-Boc-4-oxopiperidine-2-carboxylic acid(R)-1-Boc-4-oxopiperidine-2-carboxylic acid(2R)-1-Boc-4-oxopipecolic acid(2R)-1-Boc-4-氧代哌可酸(R)-1-Boc-4-氧代哌啶-2-羧酸

IUPAC name

(2R)-1-[(tert-butoxy)carbonyl]-4-oxopiperidine-2-carboxylic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID