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143700-05-4 molecular structure
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rel-tert-butyl (3R,4R)-3-azido-4-hydroxypyrrolidine-1-carboxylate

ChemBase ID: 805346
Molecular Formular: C9H16N4O3
Molecular Mass: 228.24834
Monoisotopic Mass: 228.12224039
SMILES and InChIs

SMILES:
N1(C[C@H]([C@@H](C1)O)N=[N+]=[N-])C(=O)OC(C)(C)C
Canonical SMILES:
[N-]=[N+]=N[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
InChI:
InChI=1S/C9H16N4O3/c1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13/h6-7,14H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey:
CSWBTQKOSPXYIE-RNFRBKRXSA-N

Cite this record

CBID:805346 http://www.chembase.cn/molecule-805346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-tert-butyl (3R,4R)-3-azido-4-hydroxypyrrolidine-1-carboxylate
IUPAC Traditional name
rel-tert-butyl (3R,4R)-3-azido-4-hydroxypyrrolidine-1-carboxylate
Synonyms
TRANS-3-AZIDO-1-BOC-4-HYDROXYPYRROLIDINE
CAS Number
143700-05-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22637 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22637 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.964848  H Acceptors
H Donor LogD (pH = 5.5) 0.36441854 
LogD (pH = 7.4) 0.36441842  Log P 0.4784642 
Molar Refractivity 55.937 cm3 Polarizability 21.500645 Å3
Polar Surface Area 79.2 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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