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709031-39-0 molecular structure
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(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride

ChemBase ID: 797498
Molecular Formular: C6H11ClN2O
Molecular Mass: 162.61734
Monoisotopic Mass: 162.05599066
SMILES and InChIs

SMILES:
Cl.[C@@H]12N[C@@H](C[C@@H]1C2)C(=O)N
Canonical SMILES:
NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2.Cl
InChI:
InChI=1S/C6H10N2O.ClH/c7-6(9)5-2-3-1-4(3)8-5;/h3-5,8H,1-2H2,(H2,7,9);1H/t3-,4-,5-;/m0./s1
InChIKey:
JFUDIEFZSNQJBS-SHLRHQAISA-N

Cite this record

CBID:797498 http://www.chembase.cn/molecule-797498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride
IUPAC Traditional name
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride
Synonyms
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride
CAS Number
709031-39-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.1309  H Acceptors
H Donor LogD (pH = 5.5) -4.119451 
LogD (pH = 7.4) -2.9923253  Log P -0.952877 
Molar Refractivity 32.2967 cm3 Polarizability 13.075193 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
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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