Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

C₁₀H₁₇NO₄CAS 255882-72-5215.25 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₀H₁₇NO₄
Molar mass: 215.25 g/mol
Exact mass: 215.1158 Da
logP: 1.17Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

255882-72-5

SMILES

CC(C)(C)OC(=O)N1CCC1C(=O)OC

InChIKey

FGWUDHZVEBFGKS-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Boc-azetidine-2-carboxylic acid methyl ester

Work with Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-082 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-169 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-266 % similar (R)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate256487-77-166 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-763 % similar Boc-D-azetidine-2-carboxylic acid228857-58-763 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-961 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-2 N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-9 Boc-L-proline15761-39-4 Boc-D-allylglycine170899-08-8 [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-6 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook