chempirical

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. Search the SDS library

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

Weigh it out

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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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