Home > Compound List > Compound details
34258-14-5 molecular structure
click picture or here to close

(2R)-2-(2-aminoacetamido)-3-phenylpropanoic acid

ChemBase ID: 153506
Molecular Formular: C11H14N2O3
Molecular Mass: 222.24046
Monoisotopic Mass: 222.10044232
SMILES and InChIs

SMILES:
c1ccc(cc1)C[C@H](C(=O)O)NC(=O)CN
Canonical SMILES:
NCC(=O)N[C@@H](C(=O)O)Cc1ccccc1
InChI:
InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKey:
JBCLFWXMTIKCCB-SECBINFHSA-N

Cite this record

CBID:153506 http://www.chembase.cn/molecule-153506.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-(2-aminoacetamido)-3-phenylpropanoic acid
IUPAC Traditional name
(2R)-2-(2-aminoacetamido)-3-phenylpropanoic acid
Synonyms
Gly-D-Phe
CAS Number
34258-14-5
MDL Number
MFCD00025584
PubChem SID
162247645
24895189
PubChem CID
182174

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
G4879 external link Add to cart Please log in.
Data Source Data ID
PubChem 182174 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7286525  H Acceptors
H Donor LogD (pH = 5.5) -2.294167 
LogD (pH = 7.4) -2.3556962  Log P -2.2920675 
Molar Refractivity 57.9198 cm3 Polarizability 22.80491 Å3
Polar Surface Area 92.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source
Gene Information
rat ... Ace(24310), Tpp2(81815) expand Show data source
Empirical Formula (Hill Notation)
C11H14N2O3 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