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

C10H17NO4CAS 255882-72-5215.25 g/mol

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OONOO
CarbamateEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

Boc-L-pro-ome59936-29-784 % similar Boc-D-pro-ome73323-65-684 % similar 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-082 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-169 % similar (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester796096-64-569 % similar 1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-869 % 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

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 (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-1

Elsewhere

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