Home > Compound List > Compound details
500-44-7 molecular structure
click picture or here to close

(2S)-2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid

ChemBase ID: 313233
Molecular Formular: C8H10N2O4
Molecular Mass: 198.176
Monoisotopic Mass: 198.06405681
SMILES and InChIs

SMILES:
c1cn(cc(c1=O)O)C[C@@H](C(=O)O)N
Canonical SMILES:
OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N
InChI:
InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
InChIKey:
WZNJWVWKTVETCG-YFKPBYRVSA-N

Cite this record

CBID:313233 http://www.chembase.cn/molecule-313233.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid
IUPAC Traditional name
mimosine
Synonyms
Leucenol
L-Mimosine
CAS Number
500-44-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S7446 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
S7446 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9350542  H Acceptors
H Donor LogD (pH = 5.5) -2.959101 
LogD (pH = 7.4) -2.9720697  Log P -2.9591975 
Molar Refractivity 48.6582 cm3 Polarizability 18.249966 Å3
Polar Surface Area 103.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Others expand Show data source
Salt Data
Free Base 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