CAS 610791-05-4|1-Boc-Azetidine-3-carboxylic acid methyl ester|1-tert-butyl 3-methyl azetidine-1,3-dicarboxylate|1-tert-butyl 3-methyl azetidine-1,3-dicarboxylate|1-tert-Butyl 3-Methyl azetidine-1,3...

General Information

Structure

Molecular Formula

C₁₀H₁₇NO₄

Molecular Mass

215.24628

Exact Mass

215.11575803

Charge

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-5-7(6-11)8(12)14-4/h7H,5-6H2,1-4H3

InChIKey

SECFRXGVLMVUPD-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CN(C1)C(=O)OC(C)(C)C

Isomeric Smiles

C1C(CN1C(=O)OC(C)(C)C)C(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.7319969

LogD (pH = 7.4)

0.7319969

Log P

0.7319969

Molar Refractivity

53.3295

Polarizability

21.170666

Polar Surface Area

55.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-tert-butyl 3-methyl azetidine-1,3-dicarboxylate

Synonyms

1-Boc-Azetidine-3-carboxylic acid methyl ester1-tert-Butyl 3-Methyl azetidine-1,3-dicarboxylate1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylateMethyl azetidine-3-carboxylate, N-BOC protected1-(tert-Butoxycarbonyl)-3-(methoxycarbonyl)azetidineMethyl 1-Boc-azetidine-3-carboxylate

IUPAC Traditional name

1-tert-butyl 3-methyl azetidine-1,3-dicarboxylate

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number