chempirical

(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine

C10H16N2O3CAS 483366-12-7212.25 g/mol

Open in Covalent MOL file
OONNOH
AlcoholCarbamateNitrile

Properties

Molecular formula
C10H16N2O3
Molar mass
212.25 g/mol
Exact mass
212.1161 Da
logP
0.88Crippen estimate
Polar surface area
73.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0
Stereocentres
R, 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
483366-12-7
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C#N)O
InChIKey
UNVNZVOSYRUJTH-JGVFFNPUSA-N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-6-8(13)4-7(12)5-11/h7-8,13H,4,6H2,1-3H3/t7-,8+/m0/s1

Weigh it out

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

Work with (2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine

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 (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate426844-76-067 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-061 % similar N-Boc-cis-4-hydroxy-D-proline135042-12-560 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-760 % similar (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-060 % similar N-Boc-cis-4-hydroxy-L-proline87691-27-860 % similar 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-059 % similar (S)-1-Boc-2-cyanopyrrolidine228244-04-059 % similar

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

Elsewhere

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