formazan;2-hydroxy-2-methylpropanoic acid

C5H12N4O3 — CID 158353777

IUPACformazan;2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(O)C(=O)O.[H]/N=N/C=NN
InChIInChI=1S/C4H8O3.CH4N4/c1-4(2,7)3(5)6;2-4-1-5-3/h7H,1-2H3,(H,5,6);1-2H,3H2/b;4-2+,5-1?
InChIKeyGSQDEEYKTYKPBE-CTELUNINSA-N
MW176.18 g/mol
LogP-0.24
Rot. Bonds2

About formazan;2-hydroxy-2-methylpropanoic acid

formazan;2-hydroxy-2-methylpropanoic acid (PubChem CID 158353777) has the molecular formula C5H12N4O3 and a molecular weight of 176.18 g/mol. Its IUPAC name is formazan;2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Nameformazan;2-hydroxy-2-methylpropanoic acid
PubChem CID158353777
Molecular FormulaC5H12N4O3
Molecular Weight176.18 g/mol
Exact Mass176.09
IUPAC Nameformazan;2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(O)C(=O)O.[H]/N=N/C=NN
InChIInChI=1S/C4H8O3.CH4N4/c1-4(2,7)3(5)6;2-4-1-5-3/h7H,1-2H3,(H,5,6);1-2H,3H2/b;4-2+,5-1?
InChIKeyGSQDEEYKTYKPBE-CTELUNINSA-N
XLogP-0.24
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formazan;2-hydroxy-2-methylpropanoic acid?
The IUPAC name of formazan;2-hydroxy-2-methylpropanoic acid (CID 158353777) is formazan;2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for formazan;2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for formazan;2-hydroxy-2-methylpropanoic acid is CC(C)(O)C(=O)O.[H]/N=N/C=NN.
What is the InChIKey of formazan;2-hydroxy-2-methylpropanoic acid?
The InChIKey is GSQDEEYKTYKPBE-CTELUNINSA-N. The full InChI is InChI=1S/C4H8O3.CH4N4/c1-4(2,7)3(5)6;2-4-1-5-3/h7H,1-2H3,(H,5,6);1-2H,3H2/b;4-2+,5-1?.
What are the key properties of formazan;2-hydroxy-2-methylpropanoic acid?
formazan;2-hydroxy-2-methylpropanoic acid has a molecular weight of 176.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formazan;2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 158353777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).