2-[(oxaloamino)oxyamino]-2-oxoacetic acid

C4H4N2O7 — CID 156693654

IUPAC2-[(oxaloamino)oxyamino]-2-oxoacetic acid
SMILESO=C(O)C(=O)NONC(=O)C(=O)O
InChIInChI=1S/C4H4N2O7/c7-1(3(9)10)5-13-6-2(8)4(11)12/h(H,5,7)(H,6,8)(H,9,10)(H,11,12)
InChIKeyZUYCUVYOEQFTKI-UHFFFAOYSA-N
MW192.08 g/mol
LogP-2.77
Rot. Bonds2

About 2-[(oxaloamino)oxyamino]-2-oxoacetic acid

2-[(oxaloamino)oxyamino]-2-oxoacetic acid (PubChem CID 156693654) has the molecular formula C4H4N2O7 and a molecular weight of 192.08 g/mol. Its IUPAC name is 2-[(oxaloamino)oxyamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(oxaloamino)oxyamino]-2-oxoacetic acid
PubChem CID156693654
Molecular FormulaC4H4N2O7
Molecular Weight192.08 g/mol
Exact Mass192.00
IUPAC Name2-[(oxaloamino)oxyamino]-2-oxoacetic acid
SMILESO=C(O)C(=O)NONC(=O)C(=O)O
InChIInChI=1S/C4H4N2O7/c7-1(3(9)10)5-13-6-2(8)4(11)12/h(H,5,7)(H,6,8)(H,9,10)(H,11,12)
InChIKeyZUYCUVYOEQFTKI-UHFFFAOYSA-N
XLogP-2.77
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 5-2.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethylamino)-2-oxoacetic acid
CID 117126334
2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid
CID 55289959
carbonic acid;ruthenium
CID 87059075
2-[[(2S)-1-oxalooxy-1-oxopropan-2-yl]amino]-2-oxoacetic acid
CID 175112819
N-nitrosonitrous amide;oxalic acid
CID 170352713
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
hydroxylamine;oxalic acid;hydrochloride
CID 175032202
2-(tert-butylamino)-2-oxoacetic acid
CID 5187990
azonous acid;oxalic acid
CID 172853000
2-oxo-2-(propan-2-ylamino)acetic acid
CID 7183008
2-(methoxyamino)prop-2-enoic acid
CID 56613319
1,3-diaminourea;oxalic acid
CID 174832564

Frequently Asked Questions

What is the IUPAC name of 2-[(oxaloamino)oxyamino]-2-oxoacetic acid?
The IUPAC name of 2-[(oxaloamino)oxyamino]-2-oxoacetic acid (CID 156693654) is 2-[(oxaloamino)oxyamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(oxaloamino)oxyamino]-2-oxoacetic acid?
The canonical SMILES for 2-[(oxaloamino)oxyamino]-2-oxoacetic acid is O=C(O)C(=O)NONC(=O)C(=O)O.
What is the InChIKey of 2-[(oxaloamino)oxyamino]-2-oxoacetic acid?
The InChIKey is ZUYCUVYOEQFTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O7/c7-1(3(9)10)5-13-6-2(8)4(11)12/h(H,5,7)(H,6,8)(H,9,10)(H,11,12).
What are the key properties of 2-[(oxaloamino)oxyamino]-2-oxoacetic acid?
2-[(oxaloamino)oxyamino]-2-oxoacetic acid has a molecular weight of 192.08 g/mol, XLogP of -2.77, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxaloamino)oxyamino]-2-oxoacetic acid is sourced from PubChem (CID 156693654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).