2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid

C4H3NO6 — CID 174626411

IUPAC2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid
SMILESO=NC(=O)COC(=O)C(=O)O
InChIInChI=1S/C4H3NO6/c6-2(5-10)1-11-4(9)3(7)8/h1H2,(H,7,8)
InChIKeyJGWZJSSYHJRXQQ-UHFFFAOYSA-N
MW161.07 g/mol
LogP-1.09
Rot. Bonds2

About 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid

2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid (PubChem CID 174626411) has the molecular formula C4H3NO6 and a molecular weight of 161.07 g/mol. Its IUPAC name is 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid
PubChem CID174626411
Molecular FormulaC4H3NO6
Molecular Weight161.07 g/mol
Exact Mass161.00
IUPAC Name2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid
SMILESO=NC(=O)COC(=O)C(=O)O
InChIInChI=1S/C4H3NO6/c6-2(5-10)1-11-4(9)3(7)8/h1H2,(H,7,8)
InChIKeyJGWZJSSYHJRXQQ-UHFFFAOYSA-N
XLogP-1.09
TPSA110.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.07
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-oxoacetamide
CID 173469497
2-(aminodiazenyl)oxy-N-oxoacetamide
CID 118049675
2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid
CID 130254212
bis(2-amino-2-oxoethyl) oxalate
CID 91566906
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
(2S)-2-amino-4-oxalooxybutanoic acid
CID 46173773
2-oxo-2-(4-oxobutoxy)acetic acid
CID 87706313
ethyl (E)-4,4,4-trifluoro-3-hydroxy-2-nitrosobut-2-enoate
CID 135528440
ethyl 4,4,4-trifluoro-3-hydroxy-2-nitrosobut-2-enoate
CID 135426520
3-methoxy-N-oxopropanamide
CID 89105235
2-aminooxy-2-oxoacetic acid;propanoic acid
CID 174645946
ethyl (E)-3-hydroxy-2-nitrosobut-2-enoate
CID 135408775

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid?
The IUPAC name of 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid (CID 174626411) is 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid?
The canonical SMILES for 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid is O=NC(=O)COC(=O)C(=O)O.
What is the InChIKey of 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid?
The InChIKey is JGWZJSSYHJRXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO6/c6-2(5-10)1-11-4(9)3(7)8/h1H2,(H,7,8).
What are the key properties of 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid?
2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid has a molecular weight of 161.07 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid is sourced from PubChem (CID 174626411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).