Home > Compound List > Compound details
45743-49-5 molecular structure
click picture or here to close

rel-(1R,2S)-2-aminocyclohexane-1-carboxylic acid

ChemBase ID: 815913
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
[C@@H]1([C@H](CCCC1)N)C(=O)O
Canonical SMILES:
N[C@H]1CCCC[C@H]1C(=O)O
InChI:
InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKey:
USQHEVWOPJDAAX-RITPCOANSA-N

Cite this record

CBID:815913 http://www.chembase.cn/molecule-815913.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
IUPAC Traditional name
rel-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
Synonyms
CIS-2-AMINO-1-CYCLOHEXANECARBOXYLIC ACID
CAS Number
45743-49-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39156 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39156 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1501093  H Acceptors
H Donor LogD (pH = 5.5) -1.7257688 
LogD (pH = 7.4) -1.7105327  Log P -1.710677 
Molar Refractivity 37.0189 cm3 Polarizability 14.9515705 Å3
Polar Surface Area 63.32 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle