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68327-03-7 molecular structure
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rel-(1R,2R)-2-aminocyclopentan-1-ol

ChemBase ID: 806788
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](CCC1)N)O
Canonical SMILES:
O[C@@H]1CCC[C@H]1N
InChI:
InChI=1S/C5H11NO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1
InChIKey:
JFFOUICIRBXFRC-RFZPGFLSSA-N

Cite this record

CBID:806788 http://www.chembase.cn/molecule-806788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-(1R,2R)-2-aminocyclopentan-1-ol
IUPAC Traditional name
rel-(1R,2R)-2-aminocyclopentan-1-ol
Synonyms
TRANS-2-AMINO-CYCLOPENTANOL
CAS Number
68327-03-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24680 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24680 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.611689  H Acceptors
H Donor LogD (pH = 5.5) -3.3597982 
LogD (pH = 7.4) -2.722022  Log P -0.3456606 
Molar Refractivity 27.6935 cm3 Polarizability 11.356206 Å3
Polar Surface Area 46.25 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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