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886363-04-8 molecular structure
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benzyl 4-(benzyloxy)-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate

ChemBase ID: 813424
Molecular Formular: C24H30N2O3
Molecular Mass: 394.5066
Monoisotopic Mass: 394.22564283
SMILES and InChIs

SMILES:
N1(C(CC(C1)OCc1ccccc1)CN1CCCC1)C(=O)OCc1ccccc1
Canonical SMILES:
O=C(N1CC(CC1CN1CCCC1)OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C24H30N2O3/c27-24(29-19-21-11-5-2-6-12-21)26-17-23(28-18-20-9-3-1-4-10-20)15-22(26)16-25-13-7-8-14-25/h1-6,9-12,22-23H,7-8,13-19H2
InChIKey:
RWSANADENYLJKX-UHFFFAOYSA-N

Cite this record

CBID:813424 http://www.chembase.cn/molecule-813424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl 4-(benzyloxy)-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate
IUPAC Traditional name
benzyl 4-(benzyloxy)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate
Synonyms
4-BENZYLOXY-2-PYRROLIDIN-1-YLMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
CAS Number
886363-04-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34946 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34946 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 42.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.82397765 
LogD (pH = 7.4) 2.519858  Log P 3.8707366 
Molar Refractivity 113.9485 cm3 Polarizability 44.678284 Å3

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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