2-diazo-4,4-dimethylpentanoic acid

C7H12N2O2 — CID 150366646

IUPAC2-diazo-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H12N2O2/c1-7(2,3)4-5(9-8)6(10)11/h4H2,1-3H3,(H,10,11)
InChIKeyGWVWMMCNDJOSIF-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.18
Rot. Bonds2

About 2-diazo-4,4-dimethylpentanoic acid

2-diazo-4,4-dimethylpentanoic acid (PubChem CID 150366646) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-diazo-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-diazo-4,4-dimethylpentanoic acid
PubChem CID150366646
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-diazo-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H12N2O2/c1-7(2,3)4-5(9-8)6(10)11/h4H2,1-3H3,(H,10,11)
InChIKeyGWVWMMCNDJOSIF-UHFFFAOYSA-N
XLogP1.18
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of 2-diazo-4,4-dimethylpentanoic acid?
The IUPAC name of 2-diazo-4,4-dimethylpentanoic acid (CID 150366646) is 2-diazo-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-diazo-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-diazo-4,4-dimethylpentanoic acid is CC(C)(C)CC(=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-diazo-4,4-dimethylpentanoic acid?
The InChIKey is GWVWMMCNDJOSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(2,3)4-5(9-8)6(10)11/h4H2,1-3H3,(H,10,11).
What are the key properties of 2-diazo-4,4-dimethylpentanoic acid?
2-diazo-4,4-dimethylpentanoic acid has a molecular weight of 156.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-4,4-dimethylpentanoic acid is sourced from PubChem (CID 150366646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).