2-(acetyldiazenyl)acetic acid

C4H6N2O3 — CID 18793687

IUPAC2-(acetyldiazenyl)acetic acid
SMILESCC(=O)/N=N/CC(=O)O
InChIInChI=1S/C4H6N2O3/c1-3(7)6-5-2-4(8)9/h2H2,1H3,(H,8,9)/b6-5+
InChIKeyHTJJVCKBQHZYKC-AATRIKPKSA-N
MW130.10 g/mol
LogP0.07
Rot. Bonds2

About 2-(acetyldiazenyl)acetic acid

2-(acetyldiazenyl)acetic acid (PubChem CID 18793687) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-(acetyldiazenyl)acetic acid.

Molecular Properties

Compound Name2-(acetyldiazenyl)acetic acid
PubChem CID18793687
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name2-(acetyldiazenyl)acetic acid
SMILESCC(=O)/N=N/CC(=O)O
InChIInChI=1S/C4H6N2O3/c1-3(7)6-5-2-4(8)9/h2H2,1H3,(H,8,9)/b6-5+
InChIKeyHTJJVCKBQHZYKC-AATRIKPKSA-N
XLogP0.07
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

acetic acid;trihydrobromide
CID 172754955
2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
CID 135472003
calcium;3-oxobutanoic acid;carbonate
CID 175960465
propanoic acid;dihydrobromide
CID 140795083
calcium;propanoic acid;carbonate
CID 161125917
CID 158189288
CID 158189288
acetic acid;hydrate;hydrobromide
CID 88815533
N-carbamoyliminoacetamide
CID 21045232
acetic acid
CID 158444727
magnesium;2-aminoacetic acid;diacetate
CID 172709967
propanoic acid;prop-1-en-2-olate
CID 172732515
acetic acid;cobalt;propanoic acid
CID 173406712

Frequently Asked Questions

What is the IUPAC name of 2-(acetyldiazenyl)acetic acid?
The IUPAC name of 2-(acetyldiazenyl)acetic acid (CID 18793687) is 2-(acetyldiazenyl)acetic acid.
What is the SMILES notation for 2-(acetyldiazenyl)acetic acid?
The canonical SMILES for 2-(acetyldiazenyl)acetic acid is CC(=O)/N=N/CC(=O)O.
What is the InChIKey of 2-(acetyldiazenyl)acetic acid?
The InChIKey is HTJJVCKBQHZYKC-AATRIKPKSA-N. The full InChI is InChI=1S/C4H6N2O3/c1-3(7)6-5-2-4(8)9/h2H2,1H3,(H,8,9)/b6-5+.
What are the key properties of 2-(acetyldiazenyl)acetic acid?
2-(acetyldiazenyl)acetic acid has a molecular weight of 130.10 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetyldiazenyl)acetic acid is sourced from PubChem (CID 18793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).