2-diazenylpropanoic acid

C3H6N2O2 — CID 54345644

IUPAC2-diazenylpropanoic acid
SMILES[H]/N=N/C(C)C(=O)O
InChIInChI=1S/C3H6N2O2/c1-2(5-4)3(6)7/h2,4H,1H3,(H,6,7)/b5-4+
InChIKeyUCDDYAJLRSNZBZ-SNAWJCMRSA-N
MW102.09 g/mol
LogP0.49
Rot. Bonds2

About 2-diazenylpropanoic acid

2-diazenylpropanoic acid (PubChem CID 54345644) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 2-diazenylpropanoic acid.

Molecular Properties

Compound Name2-diazenylpropanoic acid
PubChem CID54345644
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name2-diazenylpropanoic acid
SMILES[H]/N=N/C(C)C(=O)O
InChIInChI=1S/C3H6N2O2/c1-2(5-4)3(6)7/h2,4H,1H3,(H,6,7)/b5-4+
InChIKeyUCDDYAJLRSNZBZ-SNAWJCMRSA-N
XLogP0.49
TPSA73.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.49
H-Bond Donors ≤ 52
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

(2S)-2-diazenylpropanamide
CID 88574681
(3S)-3-diazenylbutan-2-imine
CID 163736167
methyl 3-diazenylbutanoate
CID 123944825
2-diazenylpentanedioic acid;hydrochloride
CID 21121931
(2S)-2-(ethylideneamino)propanoic acid
CID 45086561
1-diazenylethanethiol
CID 173486196
(1-diazenyl-2-methylpropyl)diazene
CID 57086976
2-methylpropanoic acid
CID 173073412
2-azidopropanoic acid
CID 14720889
2-(diaminomethylideneamino)propanoic acid;hydrate
CID 141309019
2-isothiocyanatopropanoic acid
CID 53430545
(2S)-2-isothiocyanatopropanoic acid
CID 95479570

Frequently Asked Questions

What is the IUPAC name of 2-diazenylpropanoic acid?
The IUPAC name of 2-diazenylpropanoic acid (CID 54345644) is 2-diazenylpropanoic acid.
What is the SMILES notation for 2-diazenylpropanoic acid?
The canonical SMILES for 2-diazenylpropanoic acid is [H]/N=N/C(C)C(=O)O.
What is the InChIKey of 2-diazenylpropanoic acid?
The InChIKey is UCDDYAJLRSNZBZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-2(5-4)3(6)7/h2,4H,1H3,(H,6,7)/b5-4+.
What are the key properties of 2-diazenylpropanoic acid?
2-diazenylpropanoic acid has a molecular weight of 102.09 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylpropanoic acid is sourced from PubChem (CID 54345644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).