2-methyl-3-oxo-3-phenyldiazenylpropanoic acid

C10H10N2O3 — CID 123853150

IUPAC2-methyl-3-oxo-3-phenyldiazenylpropanoic acid
SMILESCC(C(=O)O)C(=O)/N=N/c1ccccc1
InChIInChI=1S/C10H10N2O3/c1-7(10(14)15)9(13)12-11-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)/b12-11+
InChIKeyBRYYDDILYUJNAI-VAWYXSNFSA-N
MW206.20 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid

2-methyl-3-oxo-3-phenyldiazenylpropanoic acid (PubChem CID 123853150) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-phenyldiazenylpropanoic acid
PubChem CID123853150
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-methyl-3-oxo-3-phenyldiazenylpropanoic acid
SMILESCC(C(=O)O)C(=O)/N=N/c1ccccc1
InChIInChI=1S/C10H10N2O3/c1-7(10(14)15)9(13)12-11-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)/b12-11+
InChIKeyBRYYDDILYUJNAI-VAWYXSNFSA-N
XLogP2.02
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-phenyldiazenylpentanoic acid
CID 54441041
N-phenyliminobutanamide
CID 123707151
diphenyldiazene;urea
CID 175083568
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid
CID 87701741
3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
phenyl(1-phenylprop-1-enyl)diazene
CID 175288109
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
4-phenyldiazenylbenzoic acid
CID 15276
3-phenyliminobutan-2-one
CID 12823040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid (CID 123853150) is 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid is CC(C(=O)O)C(=O)/N=N/c1ccccc1.
What is the InChIKey of 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid?
The InChIKey is BRYYDDILYUJNAI-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(10(14)15)9(13)12-11-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)/b12-11+.
What are the key properties of 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid?
2-methyl-3-oxo-3-phenyldiazenylpropanoic acid has a molecular weight of 206.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-phenyldiazenylpropanoic acid is sourced from PubChem (CID 123853150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).