Phenylmethyl 3-amino-1-azetidinecarboxylate

C₁₁H₁₄N₂O₂CAS 112257-20-2206.25 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₁₄N₂O₂
Molar mass: 206.25 g/mol
Exact mass: 206.1055 Da
logP: 0.97Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

112257-20-2

SMILES

NC1CN(C(=O)OCc2ccccc2)C1

InChIKey

BSYBBTZXKIYFRW-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2

Weigh it out

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

Names and synonyms

3 names

1-Azetidinecarboxylic acid, 3-amino-, phenylmethyl ester
3-Amino-1-(benzyloxycarbonyl)azetidine
Benzyl 3-aminoazetidine-1-carboxylate

Work with Phenylmethyl 3-amino-1-azetidinecarboxylate

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

(S)-1-Cbz-3-aminopyrrolidine122536-72-579 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-679 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-579 % similar (R)-3-Amino-1-N-cbz-piperidine1044560-96-475 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-375 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-174 % similar (S)-1-Cbz-3-aminopyrrolidine hydrochloride550378-39-773 % similar (R)-1-Cbz-3-aminopyrrolidine hydrochloride870621-17-373 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimezone S13047-13-7 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5 3-(Cbz-amino)-azetidine914348-04-2

Elsewhere

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