tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate

C₁₅H₂₂N₂O₂CAS 351360-61-7262.35 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₅H₂₂N₂O₂
Molar mass: 262.35 g/mol
Exact mass: 262.1681 Da
logP: 2.27Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
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

351360-61-7

SMILES

CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC=CC=C2

InChIKey

OQKMVLIVAWGYRD-QWHCGFSZSA-N

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1

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Names and synonyms

1 names

(4-Phenylpyrrolidin-3-yl)carbamic acid tert-butyl ester

Work with tert-Butyl (3S,4R)-4-phenylpyrrolidin-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-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate154205-97-767 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-862 % similar Boc-L-phenylglycinol117049-14-657 % similar Boc-D-phenylglycine33125-05-255 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-955 % similar (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-055 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-554 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-254 % similar

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

Same formula

Ferrostatin-1347174-05-4 tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-4 Hydrogenated MDI5124-30-1

Elsewhere

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