AromaDb: A Database of Plant's Aroma Molecules

Aspartic acid Details

: IUPAC Name
2-aminobutanedioic acid
:Chemical Class
Acid
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID424
Molecular Weight (mg/mol)133.103
Molecular FormulaC4H7NO4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
IUPAC Name2-aminobutanedioic acid
Canonical SMILESNC(CC(=O)O)C(=O)O
PUBCHEM IUPAC INCHIKEYCKLJMWTZIZZHCS-UHFFFAOYSA-N
Solubility Level5
Vapour Pressure-7.141

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA101
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP98-1.301
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.906715 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Aspartic acid

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Mulethi Mishri Glucyrrhiza glabra mulethi essential oil

Compound Image


2D Structure

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(External database - ChemAxon)