azane;hydron;2-hydroxy-2-oxoacetate

C2H5NO4 — CID 173005395

IUPACazane;hydron;2-hydroxy-2-oxoacetate
SMILESN.O=C([O-])C(=O)O.[H+]
InChIInChI=1S/C2H2O4.H3N/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H3
InChIKeyAJGPQPPJQDDCDA-UHFFFAOYSA-N
MW107.06 g/mol
LogP-1.90
Rot. Bonds

About azane;hydron;2-hydroxy-2-oxoacetate

azane;hydron;2-hydroxy-2-oxoacetate (PubChem CID 173005395) has the molecular formula C2H5NO4 and a molecular weight of 107.06 g/mol. Its IUPAC name is azane;hydron;2-hydroxy-2-oxoacetate.

Molecular Properties

Compound Nameazane;hydron;2-hydroxy-2-oxoacetate
PubChem CID173005395
Molecular FormulaC2H5NO4
Molecular Weight107.06 g/mol
Exact Mass107.02
IUPAC Nameazane;hydron;2-hydroxy-2-oxoacetate
SMILESN.O=C([O-])C(=O)O.[H+]
InChIInChI=1S/C2H2O4.H3N/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H3
InChIKeyAJGPQPPJQDDCDA-UHFFFAOYSA-N
XLogP-1.90
TPSA112.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.06
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

hydron;2-hydroxy-2-oxoacetate
CID 173323775
sodium;2-hydroxy-2-oxoacetate;hydrochloride
CID 141113765
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
sodium;azane;2-hydroxy-2-oxoacetate;nitric acid
CID 175034311
dipotassium;2-hydroxy-2-oxoacetate;nitrite
CID 176892574
dipotassium;disodium;azane;carbonic acid;dicarbonate
CID 173340868
dicesium;oxalate;oxalic acid
CID 139047243
dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate
CID 159492381
sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
azane;oxalate;palladium(2+)
CID 173089897
hydron;oxalate;rubidium(1+)
CID 18408012

Frequently Asked Questions

What is the IUPAC name of azane;hydron;2-hydroxy-2-oxoacetate?
The IUPAC name of azane;hydron;2-hydroxy-2-oxoacetate (CID 173005395) is azane;hydron;2-hydroxy-2-oxoacetate.
What is the SMILES notation for azane;hydron;2-hydroxy-2-oxoacetate?
The canonical SMILES for azane;hydron;2-hydroxy-2-oxoacetate is N.O=C([O-])C(=O)O.[H+].
What is the InChIKey of azane;hydron;2-hydroxy-2-oxoacetate?
The InChIKey is AJGPQPPJQDDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.H3N/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H3.
What are the key properties of azane;hydron;2-hydroxy-2-oxoacetate?
azane;hydron;2-hydroxy-2-oxoacetate has a molecular weight of 107.06 g/mol, XLogP of -1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydron;2-hydroxy-2-oxoacetate is sourced from PubChem (CID 173005395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).