2-[amino(hydroxy)amino]-2-oxoacetic acid

C2H4N2O4 — CID 148547772

IUPAC2-[amino(hydroxy)amino]-2-oxoacetic acid
SMILESNN(O)C(=O)C(=O)O
InChIInChI=1S/C2H4N2O4/c3-4(8)1(5)2(6)7/h8H,3H2,(H,6,7)
InChIKeyQZAIYBODPANEET-UHFFFAOYSA-N
MW120.06 g/mol
LogP-1.84
Rot. Bonds

About 2-[amino(hydroxy)amino]-2-oxoacetic acid

2-[amino(hydroxy)amino]-2-oxoacetic acid (PubChem CID 148547772) has the molecular formula C2H4N2O4 and a molecular weight of 120.06 g/mol. Its IUPAC name is 2-[amino(hydroxy)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[amino(hydroxy)amino]-2-oxoacetic acid
PubChem CID148547772
Molecular FormulaC2H4N2O4
Molecular Weight120.06 g/mol
Exact Mass120.02
IUPAC Name2-[amino(hydroxy)amino]-2-oxoacetic acid
SMILESNN(O)C(=O)C(=O)O
InChIInChI=1S/C2H4N2O4/c3-4(8)1(5)2(6)7/h8H,3H2,(H,6,7)
InChIKeyQZAIYBODPANEET-UHFFFAOYSA-N
XLogP-1.84
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.06
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;oxalic acid;dihydrate
CID 173006602
azane;iron;oxalic acid
CID 87090690
azane;carbonic acid;oxalic acid
CID 174837249
CID 170845858
CID 170845858
diaminocarbamothioic S-acid
CID 174637683
(Z)-3-amino-2-sulfanylprop-2-enoic acid
CID 118588031
azane;carbonic acid
CID 173237446
azane;carbonic acid
CID 71309526
azane;carbamothioic S-acid
CID 12743068
hydroxylamine;oxalic acid;hydrochloride
CID 175032202
azane;azanide;cobalt;oxalic acid
CID 50897270
2-[tert-butyl(methyl)amino]-2-oxoacetic acid
CID 58147597

Frequently Asked Questions

What is the IUPAC name of 2-[amino(hydroxy)amino]-2-oxoacetic acid?
The IUPAC name of 2-[amino(hydroxy)amino]-2-oxoacetic acid (CID 148547772) is 2-[amino(hydroxy)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[amino(hydroxy)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[amino(hydroxy)amino]-2-oxoacetic acid is NN(O)C(=O)C(=O)O.
What is the InChIKey of 2-[amino(hydroxy)amino]-2-oxoacetic acid?
The InChIKey is QZAIYBODPANEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4/c3-4(8)1(5)2(6)7/h8H,3H2,(H,6,7).
What are the key properties of 2-[amino(hydroxy)amino]-2-oxoacetic acid?
2-[amino(hydroxy)amino]-2-oxoacetic acid has a molecular weight of 120.06 g/mol, XLogP of -1.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(hydroxy)amino]-2-oxoacetic acid is sourced from PubChem (CID 148547772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).