Home > Compound List > Compound details
157431-09-9 molecular structure
click picture or here to close

(2S)-2-(dimethylamino)propanoic acid

ChemBase ID: 796520
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
C(=O)([C@H](C)N(C)C)O
Canonical SMILES:
C[C@@H](C(=O)O)N(C)C
InChI:
InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKey:
QCYOIFVBYZNUNW-BYPYZUCNSA-N

Cite this record

CBID:796520 http://www.chembase.cn/molecule-796520.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(dimethylamino)propanoic acid
IUPAC Traditional name
N,N-dimethyl-L-alanine
Synonyms
(S)-2-(DiMethylaMino)propanoic acid
CAS Number
157431-09-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3184 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3184 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9615333  H Acceptors
H Donor LogD (pH = 5.5) -2.4928477 
LogD (pH = 7.4) -2.4937205  Log P -2.4928033 
Molar Refractivity 30.5666 cm3 Polarizability 12.004493 Å3
Polar Surface Area 40.54 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