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

C6H23N3O10 — CID 175162796

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
SMILESN.N.N.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.3H3N.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;3*1H2
InChIKeyVLJSMIOEGLGBRU-UHFFFAOYSA-N
MW297.26 g/mol
LogP-3.24
Rot. Bonds5

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

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate (PubChem CID 175162796) has the molecular formula C6H23N3O10 and a molecular weight of 297.26 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
PubChem CID175162796
Molecular FormulaC6H23N3O10
Molecular Weight297.26 g/mol
Exact Mass297.14
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
SMILESN.N.N.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.3H3N.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;3*1H2
InChIKeyVLJSMIOEGLGBRU-UHFFFAOYSA-N
XLogP-3.24
TPSA331.63 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.26
LogP ≤ 5-3.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174959372
cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 159047889
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
CID 131842539
CID 131842539
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795
CID 158985264
CID 158985264
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate (CID 175162796) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate.
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate is N.N.N.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate?
The InChIKey is VLJSMIOEGLGBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.3H3N.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;3*1H2.
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate has a molecular weight of 297.26 g/mol, XLogP of -3.24, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate is sourced from PubChem (CID 175162796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).