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145549-11-7 molecular structure
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tert-butyl (3R)-3-phenylpyrrolidine-1-carboxylate

ChemBase ID: 804692
Molecular Formular: C15H21NO2
Molecular Mass: 247.33274
Monoisotopic Mass: 247.15722892
SMILES and InChIs

SMILES:
N1(C[C@H](CC1)c1ccccc1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CC[C@@H](C1)c1ccccc1)OC(C)(C)C
InChI:
InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-10-9-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey:
REGWJCQNMMXFBM-ZDUSSCGKSA-N

Cite this record

CBID:804692 http://www.chembase.cn/molecule-804692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3R)-3-phenylpyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl (3R)-3-phenylpyrrolidine-1-carboxylate
Synonyms
(R)-1-BOC-3-PHENYL-PYRROLIDINE
CAS Number
145549-11-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21836 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21836 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9948888  LogD (pH = 7.4) 2.9948888 
Log P 2.9948888  Molar Refractivity 71.7961 cm3
Polarizability 28.07197 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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