Methyl 1-cbz-azetidine-3-carboxylate

C₁₃H₁₅NO₄CAS 757239-60-4249.27 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₃H₁₅NO₄
Molar mass: 249.27 g/mol
Exact mass: 249.1001 Da
logP: 1.43Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

757239-60-4

SMILES

COC(=O)C1CN(C1)C(=O)OCC2=CC=CC=C2

InChIKey

VMBHUIMZBSWWCN-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO4/c1-17-12(15)11-7-14(8-11)13(16)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-Benzyl 3-methyl azetidine-1,3-dicarboxylate

Work with Methyl 1-cbz-azetidine-3-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

Methyl N-Cbz-piperidine-3-carboxylate174543-74-978 % similar 3-Methyl 1-(phenylmethyl) 1,3-piperazinedicarboxylate129799-11-765 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-764 % similar Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-562 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-260 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-660 % similar cis-Zhprome57653-35-759 % similar 2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-059 % similar

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

Same formula

Benzyloxycarbonyl-L-proline1148-11-4 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-1 (5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one452339-73-0 N-(Benzyloxycarbonyl)-D-proline6404-31-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook