chempirical

(S)-1-Boc-3-cyanopyrrolidine

C10H16N2O2CAS 132945-78-9196.25 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
1.77Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132945-78-9
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)C#N
InChIKey
VDDMCMFPUSCJNA-MRVPVSSYSA-N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1

Weigh it out

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

Work with (S)-1-Boc-3-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

Similar compounds

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-559 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-959 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-059 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-059 % similar tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate175463-32-857 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-656 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-256 % similar tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-855 % 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 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-0

Elsewhere

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