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879275-77-1 molecular structure
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benzyl N-[(3R)-pyrrolidin-3-yl]carbamate

ChemBase ID: 293883
Molecular Formular: C12H16N2O2
Molecular Mass: 220.26764
Monoisotopic Mass: 220.12117776
SMILES and InChIs

SMILES:
O=C(N[C@H]1CNCC1)OCc1ccccc1
Canonical SMILES:
O=C(N[C@H]1CNCC1)OCc1ccccc1
InChI:
InChI=1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m1/s1
InChIKey:
DSOICHFMGRBFCM-LLVKDONJSA-N

Cite this record

CBID:293883 http://www.chembase.cn/molecule-293883.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-[(3R)-pyrrolidin-3-yl]carbamate
IUPAC Traditional name
benzyl N-[(3R)-pyrrolidin-3-yl]carbamate
Synonyms
(R)-3-N-Cbz-Aminopyrrolidine
CAS Number
879275-77-1
PubChem SID
180679414
PubChem CID
40425229

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD47662 Please log in.
Data Source Data ID
PubChem 40425229 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.652087  H Acceptors
H Donor LogD (pH = 5.5) -2.111828 
LogD (pH = 7.4) -1.6885774  Log P 1.1209505 
Molar Refractivity 60.8898 cm3 Polarizability 24.070395 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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