Methyl (2R)-1-(triphenylmethyl)aziridine-2-carboxylate

C₂₃H₂₁NO₂CAS 160233-42-1343.43 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₂₃H₂₁NO₂
Molar mass: 343.43 g/mol
Exact mass: 343.1572 Da
logP: 3.84Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

160233-42-1

SMILES

COC(=O)[C@H]1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChIKey

QGSITPKXYQEFIR-CILPGNKCSA-N

InChI

InChI=1S/C23H21NO2/c1-26-22(25)21-17-24(21)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3/t21-,24?/m1/s1

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Names and synonyms

1 names

Methyl (R)-1-trityl-2-aziridinecarboxylate

Work with Methyl (2R)-1-(triphenylmethyl)aziridine-2-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl (S)-(-)-1-trityl-2-aziridine-75154-68-6Enantiomer

Similar compounds

Methyl alpha-phenylbenzeneacetate3469-00-950 % similar Methyl 1-benzylazetidine-2-carboxylate18085-37-549 % similar Methyl formylphenylacetate5894-79-148 % similar N-(Triphenylmethyl)-L-serine methyl ester4465-44-547 % similar H-Phg-ome hcl15028-39-447 % similar D-Phenylglycine methyl ester hydrochloride19883-41-147 % similar cis-Zhprome57653-35-745 % similar 2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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