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350228-35-2 molecular structure
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(2R)-2-amino-3-(pyridin-3-yl)propanoic acid hydrochloride

ChemBase ID: 813299
Molecular Formular: C8H11ClN2O2
Molecular Mass: 202.63814
Monoisotopic Mass: 202.05090528
SMILES and InChIs

SMILES:
Cl.N[C@H](Cc1cnccc1)C(=O)O
Canonical SMILES:
OC(=O)[C@@H](Cc1cccnc1)N.Cl
InChI:
InChI=1S/C8H10N2O2.ClH/c9-7(8(11)12)4-6-2-1-3-10-5-6;/h1-3,5,7H,4,9H2,(H,11,12);1H/t7-;/m1./s1
InChIKey:
IQBSJGFLBITOPT-OGFXRTJISA-N

Cite this record

CBID:813299 http://www.chembase.cn/molecule-813299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(pyridin-3-yl)propanoic acid hydrochloride
IUPAC Traditional name
(2R)-2-amino-3-(pyridin-3-yl)propanoic acid hydrochloride
Synonyms
3-(3-PYRIDYL)-D-ALANINE HCL
CAS Number
350228-35-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34616 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34616 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7772903  H Acceptors
H Donor LogD (pH = 5.5) -2.4048216 
LogD (pH = 7.4) -2.4068496  Log P -2.4033532 
Molar Refractivity 42.9594 cm3 Polarizability 17.006207 Å3
Polar Surface Area 76.21 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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