chempirical

Benzyl 3-hydroxyazetidine-1-carboxylate

C11H13NO3CAS 128117-22-6207.23 g/mol

Open in Covalent MOL file
NOOHO
AlcoholCarbamate

Properties

Molecular formula
C11H13NO3
Molar mass
207.23 g/mol
Exact mass
207.0895 Da
logP
1.00Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
128117-22-6
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)O
InChIKey
XJWSNDGCJMGHSR-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Benzyl 3-hydroxyazetidine-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

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-179 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-574 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-268 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-768 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-461 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-059 % similar 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-359 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-558 % similar

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

Same formula

(-)-N-Acetylphenylalanine10172-89-1 Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate120974-97-2 (3,4,5-Trimethoxyphenyl)acetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 N-Acetyl-dl-phenylalanine2901-75-9 N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-9 O-Acetoacetanisidide92-15-9

Elsewhere

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