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73365-02-3 molecular structure
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tert-butyl (2R)-2-formylpyrrolidine-1-carboxylate

ChemBase ID: 798822
Molecular Formular: C10H17NO3
Molecular Mass: 199.24688
Monoisotopic Mass: 199.12084341
SMILES and InChIs

SMILES:
N1([C@H](CCC1)C=O)C(=O)OC(C)(C)C
Canonical SMILES:
O=C[C@H]1CCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKey:
YDBPZCVWPFMBDH-MRVPVSSYSA-N

Cite this record

CBID:798822 http://www.chembase.cn/molecule-798822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-formylpyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl (2R)-2-formylpyrrolidine-1-carboxylate
Synonyms
(R)-tert-butyl 2-formylpyrrolidine-1-carboxylate
CAS Number
73365-02-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12319 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12319 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.77671  H Acceptors
H Donor LogD (pH = 5.5) 1.0274354 
LogD (pH = 7.4) 1.0274354  Log P 1.0274354 
Molar Refractivity 52.134 cm3 Polarizability 20.43282 Å3
Polar Surface Area 46.61 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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