(S)-3-(Boc-amino)pyrrolidine

C₉H₁₈N₂O₂CAS 122536-76-9186.25 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
logP: 0.87Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

122536-76-9

SMILES

CC(C)(C)OC(=O)N[C@H]1CCNC1

InChIKey

DQQJBEAXSOOCPG-ZETCQYMHSA-N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1

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Names and synonyms

1 names

(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine

Work with (S)-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

exo-3-Boc-aminotropane132234-68-559 % similar Boc-trans-4-aminocyclohexanol111300-06-258 % similar tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-855 % similar tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-455 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-155 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-251 % similar Boc-D-leucinol106930-51-250 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-850 % similar

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

Same formula

(R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-0 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 Dimorpholinomethane5625-90-1 N-Boc-piperazine57260-71-6 Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-4

Elsewhere

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