(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.

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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

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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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