Benzyl 3-hydroxyazetidine-1-carboxylate

C₁₁H₁₃NO₃CAS 128117-22-6207.23 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₁₃NO₃
Molar mass: 207.23 g/mol
Exact mass: 207.0895 Da
logP: 1.00Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3-Hydroxy-1-N-cbz-pyrrolidine95656-88-579 % similar 1-N-Cbz-3-hydroxy-piperidine95798-22-475 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-574 % similar Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-570 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-268 % similar Benzyl 3-iodoazetidine-1-carboxylate939759-26-968 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-768 % 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-Trimethoxyphenylacetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 4-Benzyl-2-hydroxy-morpholin-3-one287930-73-8 N-Acetyl-DL-phenylalanine2901-75-9 2-Morpholinobenzoic acid42106-48-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook