Home > Compound List > Compound details
19883-74-0 molecular structure
click picture or here to close

(2R)-2-amino-3-(3-nitrophenyl)propanoic acid

ChemBase ID: 77360
Molecular Formular: C9H10N2O4
Molecular Mass: 210.1867
Monoisotopic Mass: 210.06405681
SMILES and InChIs

SMILES:
O=C([C@@H](Cc1cc(ccc1)[N+](=O)[O-])N)O
Canonical SMILES:
OC(=O)[C@@H](Cc1cccc(c1)[N+](=O)[O-])N
InChI:
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1
InChIKey:
YTHDRUZHNYKZGF-MRVPVSSYSA-N

Cite this record

CBID:77360 http://www.chembase.cn/molecule-77360.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(3-nitrophenyl)propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-(3-nitrophenyl)propanoic acid
Synonyms
3-Nitro-L-phenylalanine
CAS Number
19883-74-0
MDL Number
MFCD01860661
PubChem SID
162042233
PubChem CID
7000156

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR14707 external link Add to cart Please log in.
Data Source Data ID
PubChem 7000156 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.1636113  H Acceptors
H Donor LogD (pH = 5.5) -1.2450111 
LogD (pH = 7.4) -1.2491598  Log P -1.2450106 
Molar Refractivity 52.441 cm3 Polarizability 19.838968 Å3
Polar Surface Area 109.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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