azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid

C8H23N3O8 — CID 173341886

IUPACazane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCO.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H6O.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3;3*1H3
InChIKeyDMQBXILIOGFOOB-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.76
Rot. Bonds5

About azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid

azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 173341886) has the molecular formula C8H23N3O8 and a molecular weight of 289.29 g/mol. Its IUPAC name is azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Nameazane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID173341886
Molecular FormulaC8H23N3O8
Molecular Weight289.29 g/mol
Exact Mass289.15
IUPAC Nameazane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCO.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H6O.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3;3*1H3
InChIKeyDMQBXILIOGFOOB-UHFFFAOYSA-N
XLogP-0.76
TPSA257.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174959372
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
CID 159368405
acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
CID 173355303
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2-diol
CID 158644905
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;oxovanadium
CID 174576062
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463

Frequently Asked Questions

What is the IUPAC name of azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 173341886) is azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid is CCO.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is DMQBXILIOGFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C2H6O.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3;3*1H3.
What are the key properties of azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 289.29 g/mol, XLogP of -0.76, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 173341886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).