Home > Compound List > Compound details
952650-02-1 molecular structure
click picture or here to close

(3R)-3-aminopentanoic acid hydrochloride

ChemBase ID: 797090
Molecular Formular: C5H12ClNO2
Molecular Mass: 153.60728
Monoisotopic Mass: 153.05565631
SMILES and InChIs

SMILES:
Cl.C(=O)(C[C@@H](CC)N)O
Canonical SMILES:
CC[C@H](CC(=O)O)N.Cl
InChI:
InChI=1S/C5H11NO2.ClH/c1-2-4(6)3-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m1./s1
InChIKey:
FERWBHFUQDIXNF-PGMHMLKASA-N

Cite this record

CBID:797090 http://www.chembase.cn/molecule-797090.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-aminopentanoic acid hydrochloride
IUPAC Traditional name
(3R)-3-aminopentanoic acid hydrochloride
Synonyms
(R)-3-AMinopentanoic acid hydrochloride
CAS Number
952650-02-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5731 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5731 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.315349  H Acceptors
H Donor LogD (pH = 5.5) -2.256571 
LogD (pH = 7.4) -2.2344391  Log P -2.2347147 
Molar Refractivity 29.6456 cm3 Polarizability 12.004493 Å3
Polar Surface Area 63.32 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