azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid

C12H22N4O10 — CID 173012989

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid
SMILESN.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)c1ncccc1O
InChIInChI=1S/C6H5NO3.C6H8O7.3H3N/c8-4-2-1-3-7-5(4)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h1-3,8H,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
InChIKeyUBBJRVCUARVYTR-UHFFFAOYSA-N
MW382.33 g/mol
LogP-0.28
Rot. Bonds6

About azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid (PubChem CID 173012989) has the molecular formula C12H22N4O10 and a molecular weight of 382.33 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid
PubChem CID173012989
Molecular FormulaC12H22N4O10
Molecular Weight382.33 g/mol
Exact Mass382.13
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid
SMILESN.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)c1ncccc1O
InChIInChI=1S/C6H5NO3.C6H8O7.3H3N/c8-4-2-1-3-7-5(4)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h1-3,8H,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
InChIKeyUBBJRVCUARVYTR-UHFFFAOYSA-N
XLogP-0.28
TPSA307.55 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

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Related Compounds

tris(amino 3-hydroxypyridine-2-carboxylate);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173012990
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CID 174947436
tert-butyl 4-(3-hydroxy-2-pyridinyl)-4-oxobutanoate;3-hydroxypyridine-2-carboxylic acid
CID 159457473
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
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CID 155433309
3-hydroxypyridine-2-carbohydrazide
CID 45083058
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
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CID 87148662
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid (CID 173012989) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid is N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)c1ncccc1O.
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid?
The InChIKey is UBBJRVCUARVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C6H8O7.3H3N/c8-4-2-1-3-7-5(4)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h1-3,8H,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3.
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid has a molecular weight of 382.33 g/mol, XLogP of -0.28, 6 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 173012989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).