azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

C8H17NO11 — CID 174959372

IUPACazane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESN.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CO
InChIInChI=1S/C6H8O7.C2H4O3.H3N.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2(4)5;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1H2,(H,4,5);1H3;1H2
InChIKeyMKQUDMPBOMRAHH-UHFFFAOYSA-N
MW303.22 g/mol
LogP-2.85
Rot. Bonds6

About azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (PubChem CID 174959372) has the molecular formula C8H17NO11 and a molecular weight of 303.22 g/mol. Its IUPAC name is azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.

Molecular Properties

Compound Nameazane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
PubChem CID174959372
Molecular FormulaC8H17NO11
Molecular Weight303.22 g/mol
Exact Mass303.08
IUPAC Nameazane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESN.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CO
InChIInChI=1S/C6H8O7.C2H4O3.H3N.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2(4)5;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1H2,(H,4,5);1H3;1H2
InChIKeyMKQUDMPBOMRAHH-UHFFFAOYSA-N
XLogP-2.85
TPSA256.16 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.22
LogP ≤ 5-2.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 159047889
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795
CID 131842539
CID 131842539
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
CID 158985264
CID 158985264
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The IUPAC name of azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (CID 174959372) is azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.
What is the SMILES notation for azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The canonical SMILES for azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is N.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CO.
What is the InChIKey of azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The InChIKey is MKQUDMPBOMRAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C2H4O3.H3N.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2(4)5;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1H2,(H,4,5);1H3;1H2.
What are the key properties of azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate has a molecular weight of 303.22 g/mol, XLogP of -2.85, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is sourced from PubChem (CID 174959372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).