Home > Compound List > Compound details
33879-32-2 molecular structure
click picture or here to close

(2S)-2-amino-3-(3-methoxyphenyl)propanoic acid

ChemBase ID: 288437
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
O=C(O)[C@@H](N)Cc1cccc(OC)c1
Canonical SMILES:
COc1cccc(c1)C[C@@H](C(=O)O)N
InChI:
InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey:
XTXGLOBWOMUGQB-VIFPVBQESA-N

Cite this record

CBID:288437 http://www.chembase.cn/molecule-288437.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-(3-methoxyphenyl)propanoic acid
IUPAC Traditional name
(2S)-2-amino-3-(3-methoxyphenyl)propanoic acid
Synonyms
(S)-2-Amino-3-(3-methoxyphenyl)propionic acid
CAS Number
33879-32-2
PubChem SID
180673968
PubChem CID
10943394

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD20304 Please log in.
Data Source Data ID
PubChem 10943394 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0882308  H Acceptors
H Donor LogD (pH = 5.5) -1.3424876 
LogD (pH = 7.4) -1.3461517  Log P -1.3424973 
Molar Refractivity 51.5795 cm3 Polarizability 20.41693 Å3
Polar Surface Area 72.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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