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429673-79-0 molecular structure
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rel-tert-butyl (3R,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate

ChemBase ID: 805347
Molecular Formular: C10H20N2O3
Molecular Mass: 216.2774
Monoisotopic Mass: 216.14739251
SMILES and InChIs

SMILES:
N1(C[C@H]([C@@H](C1)OC)N)C(=O)OC(C)(C)C
Canonical SMILES:
CO[C@@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8-/m1/s1
InChIKey:
STYSIWNZDIJKGC-HTQZYQBOSA-N

Cite this record

CBID:805347 http://www.chembase.cn/molecule-805347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-tert-butyl (3R,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate
IUPAC Traditional name
rel-tert-butyl (3R,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate
Synonyms
TRANS-3-AMINO-1-BOC-4-METHOXYPYRROLIDINE
CAS Number
429673-79-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22638 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22638 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6134818  LogD (pH = 7.4) -1.118943 
Log P 0.19436447  Molar Refractivity 56.0532 cm3
Polarizability 22.572815 Å3 Polar Surface Area 64.79 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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