Home > Compound List > Compound details
90657-55-9 molecular structure
click picture or here to close

(2R,4R)-4-cyclohexylpyrrolidine-2-carboxylic acid hydrochloride

ChemBase ID: 797383
Molecular Formular: C11H20ClNO2
Molecular Mass: 233.735
Monoisotopic Mass: 233.11825657
SMILES and InChIs

SMILES:
Cl.N1C[C@H](C[C@@H]1C(=O)O)C1CCCCC1
Canonical SMILES:
OC(=O)[C@@H]1NC[C@H](C1)C1CCCCC1.Cl
InChI:
InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m0./s1
InChIKey:
BHGFUQJUTOVQOS-BAUSSPIASA-N

Cite this record

CBID:797383 http://www.chembase.cn/molecule-797383.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4R)-4-cyclohexylpyrrolidine-2-carboxylic acid hydrochloride
IUPAC Traditional name
(2R,4R)-4-cyclohexylpyrrolidine-2-carboxylic acid hydrochloride
Synonyms
trans-4-Cyclohexyl-L-proline hydrochloride
CAS Number
90657-55-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O7180 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O7180 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2146025  H Acceptors
H Donor LogD (pH = 5.5) -0.6022594 
LogD (pH = 7.4) -0.602108  Log P -0.6020914 
Molar Refractivity 53.6863 cm3 Polarizability 21.574009 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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