Arginine glutamate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Arginine glutamate
Accession Number
DB13207
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • 2-amino-5-(diaminomethylideneamino)pentanoic acid
  • 2-amino-5-guanidino-pentanoic acid
  • 2-aminoglutaric acid
  • L-Arginine L-glutamate
International/Other Brands
Modumate
Categories
UNII
TU1X77K34Q
CAS number
4320-30-3
Weight
Average: 321.334
Monoisotopic: 321.164833481
Chemical Formula
C11H23N5O6
InChI Key
RVEWUBJVAHOGKA-WOYAITHZSA-N
InChI
InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1
IUPAC Name
(2S)-2-amino-5-carbamimidamidopentanoic acid; (2S)-2-aminopentanedioic acid
SMILES
N[C@@H](CCC(O)=O)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D02397
ChemSpider
144883
ChEBI
31234
ChEMBL
CHEMBL2104514
Wikipedia
Arginine_glutamate
ATC Codes
A05BA01 — Arginine glutamate

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.28 mg/mLALOGPS
logP-3.5ALOGPS
logP-3.2ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)2.41ChemAxon
pKa (Strongest Basic)12.41ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area125.22 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity53.92 m3·mol-1ChemAxon
Polarizability17.79 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Glutamic acid and derivatives
Alternative Parents
L-alpha-amino acids / Amino fatty acids / Dicarboxylic acids and derivatives / Guanidines / Amino acids / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides
show 3 more
Substituents
Glutamic acid or derivatives / Alpha-amino acid / L-alpha-amino acid / Amino fatty acid / Dicarboxylic acid or derivatives / Fatty acid / Fatty acyl / Guanidine / Amino acid / Carboxylic acid
show 15 more
Molecular Framework
Not Available
External Descriptors
Not Available

Drug created on June 23, 2017 14:37 / Updated on November 02, 2018 07:35