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

C9H23N3O10 — CID 173155699

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C3H6O3.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,4H,1H3,(H,5,6);3*1H3
InChIKeyAGASEWKGZRRANY-UHFFFAOYSA-N
MW333.29 g/mol
LogP-1.31
Rot. Bonds6

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

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid (PubChem CID 173155699) has the molecular formula C9H23N3O10 and a molecular weight of 333.29 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
PubChem CID173155699
Molecular FormulaC9H23N3O10
Molecular Weight333.29 g/mol
Exact Mass333.14
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C3H6O3.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,4H,1H3,(H,5,6);3*1H3
InChIKeyAGASEWKGZRRANY-UHFFFAOYSA-N
XLogP-1.31
TPSA294.66 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 174452959
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173088581
calcium;trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);2-hydroxypropanoic acid
CID 174494255
carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 159855867
2,3-dihydroxybutanedioic acid;hexanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 158232718
azane;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173214936
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
CID 173355303
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2-diol
CID 158644905
magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid
CID 87589072

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid (CID 173155699) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid.
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid is CC(O)C(=O)O.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?
The InChIKey is AGASEWKGZRRANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H6O3.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,4H,1H3,(H,5,6);3*1H3.
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid has a molecular weight of 333.29 g/mol, XLogP of -1.31, 6 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 173155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).