2-diazo-3,3-dimethylbutanoic acid

C6H10N2O2 — CID 54517949

IUPAC2-diazo-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H10N2O2/c1-6(2,3)4(8-7)5(9)10/h1-3H3,(H,9,10)
InChIKeyYNSGXOKZAMNSCR-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.79
Rot. Bonds1

About 2-diazo-3,3-dimethylbutanoic acid

2-diazo-3,3-dimethylbutanoic acid (PubChem CID 54517949) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-diazo-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-diazo-3,3-dimethylbutanoic acid
PubChem CID54517949
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-diazo-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H10N2O2/c1-6(2,3)4(8-7)5(9)10/h1-3H3,(H,9,10)
InChIKeyYNSGXOKZAMNSCR-UHFFFAOYSA-N
XLogP0.79
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Ethyl diazoacetic acid
CID 54067636
(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid
CID 15337895
2-[(1-Carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
CID 59087604
2-(Hydroxyimino)-3,3-dimethylbutanoic acid
CID 71381629
2-Iminoazaniumylidene-3,3-dimethylbutanoate
CID 87123553
2-Diazo-3-methylbutanoic acid
CID 135755479
2-Diazo-4,4-dimethylpentanoic acid
CID 150366646
4,4-Dimethylpyrazole-3-carboxylic acid
CID 169766813
(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid
CID 11788362
(2Z)-2-hydrazinylidene-3,3-dimethylbutanoic acid
CID 15405270
2-Diazo-3,3-dimethylbutanoate
CID 18429046
(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
CID 20617506

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3,3-dimethylbutanoic acid?
The IUPAC name of 2-diazo-3,3-dimethylbutanoic acid (CID 54517949) is 2-diazo-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-diazo-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-diazo-3,3-dimethylbutanoic acid is CC(C)(C)C(=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-diazo-3,3-dimethylbutanoic acid?
The InChIKey is YNSGXOKZAMNSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-6(2,3)4(8-7)5(9)10/h1-3H3,(H,9,10).
What are the key properties of 2-diazo-3,3-dimethylbutanoic acid?
2-diazo-3,3-dimethylbutanoic acid has a molecular weight of 142.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3,3-dimethylbutanoic acid is sourced from PubChem (CID 54517949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).