chempirical

(S)-1-Boc-2-cyanopyrrolidine

C10H16N2O2CAS 228244-04-0196.25 g/mol

Open in Covalent MOL file
OONN
CarbamateNitrile

Properties

Molecular formula
C10H16N2O2
Molar mass
196.25 g/mol
Exact mass
196.1212 Da
logP
1.91Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

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
228244-04-0
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C#N
InChIKey
MDMSZBHMBCNYNO-QMMMGPOBSA-N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m0/s1

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Names and synonyms

1 names
  • tert-Butyl (2S)-2-cyanopyrrolidine-1-carboxylate

Work with (S)-1-Boc-2-cyanopyrrolidine

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.

(R)-1-Boc-2-cyanopyrrolidine228244-20-0Enantiomer 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-0Stereo not defined

Similar compounds

tert-Butyl 2-cyanopiperidine-1-carboxylate153749-89-492 % similar tert-Butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate426844-76-059 % similar (2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine483366-12-759 % similar N-Boc-3-cyanopiperidine91419-53-359 % similar (S)-1-N-Boc-3-cyanopiperidine915226-39-059 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-957 % similar N-(tert-Butoxycarbonyl)-D-prolinal73365-02-357 % similar tert-Butyl 4-cyanopiperidine-1-carboxylate91419-52-257 % similar

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

Same formula

Fasoracetam110958-19-5 (R)-1-Boc-3-cyanopyrrolidine132945-76-7 (S)-1-Boc-3-cyanopyrrolidine132945-78-9 1-Boc-3-cyanopyrrolidine476493-40-0 3-Ethyl-2,5-pyrazinediethanol86917-74-0

Elsewhere

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