(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid

C6H12N2O2 — CID 11788362

IUPAC(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid
SMILESCC(C)(C)/C(=N\N)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-6(2,3)4(8-7)5(9)10/h7H2,1-3H3,(H,9,10)/b8-4-
InChIKeySUQLGTFAZAWPBH-YWEYNIOJSA-N
MW144.17 g/mol
LogP0.43
Rot. Bonds1

About (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid

(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid (PubChem CID 11788362) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid
PubChem CID11788362
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid
SMILESCC(C)(C)/C(=N\N)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-6(2,3)4(8-7)5(9)10/h7H2,1-3H3,(H,9,10)/b8-4-
InChIKeySUQLGTFAZAWPBH-YWEYNIOJSA-N
XLogP0.43
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid?
The IUPAC name of (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid (CID 11788362) is (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid?
The canonical SMILES for (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid is CC(C)(C)/C(=N\N)C(=O)O.
What is the InChIKey of (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid?
The InChIKey is SUQLGTFAZAWPBH-YWEYNIOJSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(2,3)4(8-7)5(9)10/h7H2,1-3H3,(H,9,10)/b8-4-.
What are the key properties of (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid?
(2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydrazinylidene-3,3-dimethylbutanoic acid is sourced from PubChem (CID 11788362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).