tert-Butyl (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate

C16H24N2O3CAS 154205-97-7292.38 g/mol

Open in Covalent MOL file
OONHHNO
CarbamateEtherSecondary amine

Properties

Molecular formula
C16H24N2O3
Molar mass
292.38 g/mol
Exact mass
292.1787 Da
logP
2.28Crippen estimate
Polar surface area
59.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
S, Rin 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
154205-97-7
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC=CC=C2OC
InChIKey
AZGMOUYTWMSTRT-QWHCGFSZSA-N
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-13-10-17-9-12(13)11-7-5-6-8-14(11)20-4/h5-8,12-13,17H,9-10H2,1-4H3,(H,18,19)/t12-,13+/m0/s1

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Work with tert-Butyl (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate

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 (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate351360-61-767 % similar (R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-660 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-846 % similar 3-N-Boc-amino-azetidine91188-13-546 % similar Boc-O-benzyl-D-threoninol168034-31-944 % similar tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate72155-45-444 % similar (R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal77119-85-844 % similar Boc-L-asparagine(xanthyl)65420-40-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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