Home > Compound List > Compound details
885955-09-9 molecular structure
click picture or here to close

2-(2-oxo-3-phenylimidazolidin-1-yl)acetic acid

ChemBase ID: 797520
Molecular Formular: C11H12N2O3
Molecular Mass: 220.22458
Monoisotopic Mass: 220.08479225
SMILES and InChIs

SMILES:
C(C(=O)O)N1C(=O)N(CC1)c1ccccc1
Canonical SMILES:
OC(=O)CN1CCN(C1=O)c1ccccc1
InChI:
InChI=1S/C11H12N2O3/c14-10(15)8-12-6-7-13(11(12)16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)
InChIKey:
LLRCYQFSECXTMP-UHFFFAOYSA-N

Cite this record

CBID:797520 http://www.chembase.cn/molecule-797520.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-oxo-3-phenylimidazolidin-1-yl)acetic acid
IUPAC Traditional name
(2-oxo-3-phenylimidazolidin-1-yl)acetic acid
Synonyms
2-(2-oxo-3-phenyliMidazolidin-1-yl)acetic acid
CAS Number
885955-09-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7794764  H Acceptors
H Donor LogD (pH = 5.5) -1.2267331 
LogD (pH = 7.4) -2.7764003  Log P 0.4952872 
Molar Refractivity 56.6226 cm3 Polarizability 21.702612 Å3
Polar Surface Area 60.85 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