chempirical

3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester

C9H17NO3CAS 1104083-23-9187.24 g/mol

Open in Covalent MOL file
NOOHO
AlcoholCarbamate

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
logP
0.99Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1104083-23-9
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)O
InChIKey
DBJZEDYSQQXOOF-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3

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Names and synonyms

1 names
  • tert-Butyl 3-hydroxy-3-methylazetidine-1-carboxylate

Work with 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl 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

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-371 % similar 1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-361 % similar 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-161 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-357 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-557 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-857 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-956 % similar N-Boc-diethanolamine103898-11-956 % similar

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

Same formula

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6 (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-8 (4R)-4-(1,1-Dimethylethoxy)-L-proline79775-07-8

Elsewhere

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