Identification
- Generic Name
- Glutamyl Group
- DrugBank Accession Number
- DB03774
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Glutamyl Group (DB03774)
- Weight
- Average: 132.1378
Monoisotopic: 132.066068191 - Chemical Formula
- C5H10NO3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- Fatty acids and conjugates / Alpha-hydrogen aldehydes / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Organic cations
- Substituents
- Aldehyde / Aliphatic acyclic compound / Alpha-hydrogen aldehyde / Amine / Amino acid / Carbonyl group / Carboxylic acid / Fatty acid / Hydrocarbon derivative / L-alpha-amino acid
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- KABXUUFDPUOJMW-BYPYZUCNSA-O
- InChI
- InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/p+1/t4-/m0/s1
- IUPAC Name
- (1S)-1-carboxy-4-oxobutan-1-aminium
- SMILES
- [NH3+][C@@H](CCC=O)C(O)=O
References
- General References
- Not Available
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 23.7 mg/mL ALOGPS logP -1.2 ALOGPS logP -3.4 Chemaxon logS -0.85 ALOGPS pKa (Strongest Acidic) 2.12 Chemaxon pKa (Strongest Basic) 9.11 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82.01 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 41.66 m3·mol-1 Chemaxon Polarizability 12.87 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.8618 Blood Brain Barrier + 0.7673 Caco-2 permeable - 0.7622 P-glycoprotein substrate Non-substrate 0.7159 P-glycoprotein inhibitor I Non-inhibitor 0.9819 P-glycoprotein inhibitor II Non-inhibitor 0.9839 Renal organic cation transporter Non-inhibitor 0.941 CYP450 2C9 substrate Non-substrate 0.8058 CYP450 2D6 substrate Non-substrate 0.8456 CYP450 3A4 substrate Non-substrate 0.7594 CYP450 1A2 substrate Non-inhibitor 0.9116 CYP450 2C9 inhibitor Non-inhibitor 0.967 CYP450 2D6 inhibitor Non-inhibitor 0.9574 CYP450 2C19 inhibitor Non-inhibitor 0.9726 CYP450 3A4 inhibitor Non-inhibitor 0.9701 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9945 Ames test Non AMES toxic 0.8677 Carcinogenicity Non-carcinogens 0.9181 Biodegradation Ready biodegradable 0.9637 Rat acute toxicity 1.2151 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.949 hERG inhibition (predictor II) Non-inhibitor 0.9748
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-059l-9100000000-9f40bf87c3cf248a9396 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 122.07766 predictedDeepCCS 1.0 (2019) [M+H]+ 125.46686 predictedDeepCCS 1.0 (2019) [M+Na]+ 134.71724 predictedDeepCCS 1.0 (2019)
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52