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

C₁₀H₁₇NO₄CAS 610791-05-4215.25 g/mol

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Carbamate Ester

Properties

Molecular formula: C₁₀H₁₇NO₄
Molar mass: 215.25 g/mol
Exact mass: 215.1158 Da
logP: 1.03Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

610791-05-4

SMILES

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

InChIKey

SECFRXGVLMVUPD-UHFFFAOYSA-N

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

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Names and synonyms

4 names

1,3-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
Methyl 1-(tert-butyloxycarbonyl)azetidine-3-carboxylate
Methyl 1-tert-butoxycarbonyl-azetidine-3-carboxylate
1-O-tert-Butyl 3-O-methyl azetidine-1,3-dicarboxylate

Work with 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate

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 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-778 % similar (S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester313706-15-978 % similar 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate441717-40-478 % similar Methyl N-boc-piperidine-3-carboxylate148763-41-176 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-173 % similar tert-Butyl 3-((methoxycarbonyl)methyl) azetidine-1-carboxylate497160-14-264 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-962 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-261 % 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 Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-5

Elsewhere

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