(S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine

C₁₆H₂₄N₂O₂CAS 131852-53-4276.38 g/mol

Open in Covalent MOL file

Carbamate Tertiary amine

Properties

Molecular formula: C₁₆H₂₄N₂O₂
Molar mass: 276.38 g/mol
Exact mass: 276.1838 Da
logP: 2.79Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

131852-53-4

SMILES

CC(C)(C)OC(=O)N[C@H]1CCN(C1)CC2=CC=CC=C2

InChIKey

PHOIDJGLYWEUEK-AWEZNQCLSA-N

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1

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Names and synonyms

1 names

(S)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate

Work with (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine

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

tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-756 % similar Boc-L-homophenylalanine100564-78-153 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-653 % similar Boc-D-cys(bzl)-oh102830-49-949 % similar exo-3-Boc-aminotropane132234-68-549 % similar Boc-L-phenylglycinol117049-14-648 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-545 % similar 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-145 % similar

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

Same formula

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-8 1-N-Boc-4-(phenylamino)piperidine125541-22-2 (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-4 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-3 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 (±)-Molindone7416-34-4

Elsewhere

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