chempirical

1-Boc-azetidine-3-ylmethanol

C9H17NO3CAS 142253-56-3187.24 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
logP
0.85Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
142253-56-3
SMILES
CC(C)(C)OC(=O)N1CC(C1)CO
InChIKey
HXRDRJKAEYHOBB-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h7,11H,4-6H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 3-(hydroxymethyl)azetidine-1-carboxylate

Work with 1-Boc-azetidine-3-ylmethanol

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

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-677 % similar N-Boc-piperidine-3-methanol116574-71-173 % similar N-Boc-4-piperidinemethanol123855-51-671 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-665 % similar tert-Butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate1207853-71-164 % similar tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-562 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-062 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-262 % 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-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-9 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6 (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-8

Elsewhere

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