CAS 937601-48-4|tert-Butyl 4-[4-(methoxycarbonyl)-2-oxo-1-pyrrolidinyl]tetrahydro-1(2H)-pyridinecarboxylate|tert-butyl 4-[4-(methoxycarbonyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate|tert-butyl...

General Information

Structure

Molecular Formula

C₁₆H₂₆N₂O₅

Molecular Mass

326.38804

Exact Mass

326.18417194

Charge

InChI

InChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)17-7-5-12(6-8-17)18-10-11(9-13(18)19)14(20)22-4/h11-12H,5-10H2,1-4H3

InChIKey

HDJKYBGHNCMEQO-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CC(=O)N(C1)C1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

N1(C(=O)CC(C1)C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.09556373

LogD (pH = 7.4)

0.09556404

Log P

0.095564045

Molar Refractivity

83.1611

Polarizability

32.711178

Polar Surface Area

76.15

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-Butyl 4-[4-(methoxycarbonyl)-2-oxo-1-pyrrolidinyl]tetrahydro-1(2H)-pyridinecarboxylateMethyl 1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylatetert-Butyl 4-[4-(methoxycarbonyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate4-[4-(Methoxycarbonyl)-2-oxopyrrolidin-1-yl]piperidine, N-BOC protected

IUPAC Traditional name

tert-butyl 4-[4-(methoxycarbonyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[4-(methoxycarbonyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD08689666

CAS Number

937601-48-4

PubChem SID

162046972