tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate

C₁₀H₂₀N₂O₂CAS 1049730-81-5200.28 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.07Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

1049730-81-5

SMILES

CC(C)(C)OC(=O)N1CC(C1)CNC

InChIKey

LNDGYTKISRFVOI-UHFFFAOYSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3

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Names and synonyms

1 names

tert-Butyl 3-[(methylamino)methyl]azetidine-1-carboxylate

Work with tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate

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

Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-662 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-059 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-258 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-058 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-657 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-057 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-954 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-053 % similar

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

Same formula

tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-8 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-2 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-5

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