Metabolite N-(2-carboxymethyl)-morpholine

Name
N-(2-carboxymethyl)-morpholine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 145.1564
Monoisotopic: 145.073893223
Chemical Formula
C6H11NO3
InChI Key
VIWZVFVJPXTXPA-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
IUPAC Name
2-(morpholin-4-yl)acetic acid
SMILES
OC(=O)CN1CCOCC1
Reactions
External Links
Human Metabolome Database
HMDB0061156
ChemSpider
388152
HET
00E
Predicted Properties
PropertyValueSource
Water Solubility1040.0 mg/mLALOGPS
logP-1.8ALOGPS
logP-2.7ChemAxon
logS0.85ALOGPS
pKa (Strongest Acidic)2.95ChemAxon
pKa (Strongest Basic)6.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.77 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity35.15 m3·mol-1ChemAxon
Polarizability14.17 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon