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210110-93-3 molecular structure
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2-[2-amino-4,5-dihydro(2-14C)-1H-imidazol-1-yl]acetic acid

ChemBase ID: 165136
Molecular Formular: C5H9N3O2
Molecular Mass: 145.13640199
Monoisotopic Mass: 145.07271853
SMILES and InChIs

SMILES:
N1([14C](=NCC1)N)CC(=O)O
Canonical SMILES:
N[14C]1=NCCN1CC(=O)O
InChI:
InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)/i5+2
InChIKey:
AMHZIUVRYRVYBA-RHRFEJLCSA-N

Cite this record

CBID:165136 http://www.chembase.cn/molecule-165136.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-amino-4,5-dihydro(2-14C)-1H-imidazol-1-yl]acetic acid
IUPAC Traditional name
[2-amino-4,5-dihydro(2-14C)imidazol-1-yl]acetic acid
Synonyms
2-Amino-4,5-dihydro-1H-Imidazole-2-14C-1-acetic Acid
1-Carboxymethyl-2-iminoimidazolidine-2-14C
Cyclocreatine-2-14Capp. 52 mCi/mmol
CAS Number
210110-93-3
PubChem SID
162259269
PubChem CID
45038744

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C982220 external link Add to cart
PubChem 45038744 external link
Data Source Data ID Price
TRC
C982220 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038744 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.3714368  H Acceptors
H Donor LogD (pH = 5.5) -2.8147156 
LogD (pH = 7.4) -2.8121233  Log P -2.8121474 
Molar Refractivity 34.5255 cm3 Polarizability 12.861022 Å3
Polar Surface Area 78.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Radioisotope Lab expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C982220 external link
Can regulate creatine biosynthesis by suppressing the level of arginine:glycine amidinotransferase in chick liver.

REFERENCES

REFERENCES

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  • • McGilvery, R.W. et al.: J. Biol. Chem., 249, 1417 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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