Metabolite aminoethoxyacetic acid

Name
aminoethoxyacetic acid
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 118.1112
Monoisotopic: 118.050418127
Chemical Formula
C4H8NO3
InChI Key
GNRLUBOJIGSVNT-UHFFFAOYSA-M
InChI
InChI=1S/C4H9NO3/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)/p-1
IUPAC Name
2-(2-aminoethoxy)acetate
SMILES
NCCOCC([O-])=O
Reactions
    Spectra
    Not Available
    Chromatographic Properties
    Collision Cross Sections (CCS)
    Not Available
    Human Metabolome Database
    HMDB0060587
    ChemSpider
    13607382
    Predicted Properties
    PropertyValueSource
    Water Solubility639.0 mg/mLALOGPS
    logP-1.4ALOGPS
    logP-3.5Chemaxon
    logS0.67ALOGPS
    pKa (Strongest Acidic)3.75Chemaxon
    pKa (Strongest Basic)9.45Chemaxon
    Physiological Charge0Chemaxon
    Hydrogen Acceptor Count4Chemaxon
    Hydrogen Donor Count1Chemaxon
    Polar Surface Area75.38 Å2Chemaxon
    Rotatable Bond Count4Chemaxon
    Refractivity37.88 m3·mol-1Chemaxon
    Polarizability11.25 Å3Chemaxon
    Number of Rings0Chemaxon
    Bioavailability1Chemaxon
    Rule of FiveYesChemaxon
    Ghose FilterNoChemaxon
    Veber's RuleNoChemaxon
    MDDR-like RuleNoChemaxon