Home > Compound List > Compound details
83435-58-9 molecular structure
click picture or here to close

tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

ChemBase ID: 798821
Molecular Formular: C10H19NO3
Molecular Mass: 201.26276
Monoisotopic Mass: 201.13649347
SMILES and InChIs

SMILES:
N1([C@H](CCC1)CO)C(=O)OC(C)(C)C
Canonical SMILES:
OC[C@H]1CCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKey:
BFFLLBPMZCIGRM-MRVPVSSYSA-N

Cite this record

CBID:798821 http://www.chembase.cn/molecule-798821.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Synonyms
(R)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Number
83435-58-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12318 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12318 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.09024  H Acceptors
H Donor LogD (pH = 5.5) 0.86577713 
LogD (pH = 7.4) 0.8657771  Log P 0.86577713 
Molar Refractivity 53.192 cm3 Polarizability 20.97339 Å3
Polar Surface Area 49.77 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

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