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220928-01-8 molecular structure
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(3R)-3-aminopiperidin-2-one

ChemBase ID: 806669
Molecular Formular: C5H10N2O
Molecular Mass: 114.1457
Monoisotopic Mass: 114.07931295
SMILES and InChIs

SMILES:
C1CCNC(=O)[C@@H]1N
Canonical SMILES:
O=C1NCCC[C@H]1N
InChI:
InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/t4-/m1/s1
InChIKey:
YCCMTCQQDULIFE-SCSAIBSYSA-N

Cite this record

CBID:806669 http://www.chembase.cn/molecule-806669.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-aminopiperidin-2-one
IUPAC Traditional name
(R)-(+)-3-amino-2-piperidinon
Synonyms
(R)-3-AMINOPIPERIDINE-2-ONE
CAS Number
220928-01-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24478 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24478 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.55132  H Acceptors
H Donor LogD (pH = 5.5) -3.7957282 
LogD (pH = 7.4) -2.1851985  Log P -1.1129884 
Molar Refractivity 30.0086 cm3 Polarizability 11.95924 Å3
Polar Surface Area 55.12 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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