Metabolite Hydroxyethyl glycine

Name
Hydroxyethyl glycine
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 119.1192
Monoisotopic: 119.058243159
Chemical Formula
C4H9NO3
InChI Key
XSISQURPIRTMAY-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO3/c5-3-4(7)8-2-1-6/h6H,1-3,5H2
IUPAC Name
2-hydroxyethyl 2-aminoacetate
SMILES
NCC(=O)OCCO
Reactions
    Spectra
    SpectrumSpectrum TypeSplash Key
    Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-001i-9000000000-46daa552a0b094b95470
    Chromatographic Properties
    Collision Cross Sections (CCS)
    Not Available
    Human Metabolome Database
    HMDB0061148
    ChemSpider
    13315998
    ChEBI
    173465
    Predicted Properties
    PropertyValueSource
    Water Solubility681.0 mg/mLALOGPS
    logP-1.3ALOGPS
    logP-1.7Chemaxon
    logS0.76ALOGPS
    pKa (Strongest Acidic)15.1Chemaxon
    pKa (Strongest Basic)7.09Chemaxon
    Physiological Charge0Chemaxon
    Hydrogen Acceptor Count3Chemaxon
    Hydrogen Donor Count2Chemaxon
    Polar Surface Area72.55 Å2Chemaxon
    Rotatable Bond Count4Chemaxon
    Refractivity27.06 m3·mol-1Chemaxon
    Polarizability11.69 Å3Chemaxon
    Number of Rings0Chemaxon
    Bioavailability1Chemaxon
    Rule of FiveYesChemaxon
    Ghose FilterNoChemaxon
    Veber's RuleNoChemaxon
    MDDR-like RuleNoChemaxon