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MFCD08457555 molecular structure
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(1R,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride

ChemBase ID: 270029
Molecular Formular: C8H14ClNO2
Molecular Mass: 191.65526
Monoisotopic Mass: 191.07130637
SMILES and InChIs

SMILES:
[C@]1(C(=O)O)([C@H]2C[C@@H](C1)CC2)N.Cl
Canonical SMILES:
OC(=O)[C@@]1(N)C[C@@H]2C[C@H]1CC2.Cl
InChI:
InChI=1S/C8H13NO2.ClH/c9-8(7(10)11)4-5-1-2-6(8)3-5;/h5-6H,1-4,9H2,(H,10,11);1H/t5?,6?,8-;/m1./s1
InChIKey:
VPKXFQOKRQNCRU-MXIZBEJISA-N

Cite this record

CBID:270029 http://www.chembase.cn/molecule-270029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
IUPAC Traditional name
(1R,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
Synonyms
(1R,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
MDL Number
MFCD08457555
PubChem SID
164325939
PubChem CID
20850008

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68694 external link Add to cart Please log in.
Data Source Data ID
PubChem 20850008 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4144506  H Acceptors
H Donor LogD (pH = 5.5) -1.6390163 
LogD (pH = 7.4) -1.6400741  Log P -1.6388512 
Molar Refractivity 39.6744 cm3 Polarizability 16.067627 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.94 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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