Home > Compound List > Compound details
122536-77-0 molecular structure
click picture or here to close

tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate

ChemBase ID: 800258
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)[C@H]1CNCC1
Canonical SMILES:
O=C(OC(C)(C)C)N[C@H]1CNCC1
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKey:
DQQJBEAXSOOCPG-SSDOTTSWSA-N

Cite this record

CBID:800258 http://www.chembase.cn/molecule-800258.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate
Synonyms
(R)-Pyrrolidin-3-yl-carbamic acid tert-butyl ester
CAS Number
122536-77-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15653 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15653 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.87643  H Acceptors
H Donor LogD (pH = 5.5) -2.7823417 
LogD (pH = 7.4) -2.3590956  Log P 0.45043698 
Molar Refractivity 50.0828 cm3 Polarizability 20.017399 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle