4-(dimethylhydrazinylidene)butanoic acid

C6H12N2O2 — CID 91543570

IUPAC4-(dimethylhydrazinylidene)butanoic acid
SMILESCN(C)N=CCCC(=O)O
InChIInChI=1S/C6H12N2O2/c1-8(2)7-5-3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyXLJZBCXSDOHPFQ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.40
Rot. Bonds4

About 4-(dimethylhydrazinylidene)butanoic acid

4-(dimethylhydrazinylidene)butanoic acid (PubChem CID 91543570) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-(dimethylhydrazinylidene)butanoic acid.

Molecular Properties

Compound Name4-(dimethylhydrazinylidene)butanoic acid
PubChem CID91543570
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4-(dimethylhydrazinylidene)butanoic acid
SMILESCN(C)N=CCCC(=O)O
InChIInChI=1S/C6H12N2O2/c1-8(2)7-5-3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyXLJZBCXSDOHPFQ-UHFFFAOYSA-N
XLogP0.40
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-(dimethylhydrazinylidene)heptan-3-one
CID 14786269
(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
CID 14786271
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
(Z)-6-methylhept-4-enoic acid
CID 55298227
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
hept-4-enoic acid;hydrochloride
CID 143782457
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
(E)-5-methylhept-4-enoic acid
CID 83694352
8-oxoocta-4,6-dienoic acid
CID 71446452
3-[methyl-(methylideneamino)amino]propanoic acid
CID 144525641

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylhydrazinylidene)butanoic acid?
The IUPAC name of 4-(dimethylhydrazinylidene)butanoic acid (CID 91543570) is 4-(dimethylhydrazinylidene)butanoic acid.
What is the SMILES notation for 4-(dimethylhydrazinylidene)butanoic acid?
The canonical SMILES for 4-(dimethylhydrazinylidene)butanoic acid is CN(C)N=CCCC(=O)O.
What is the InChIKey of 4-(dimethylhydrazinylidene)butanoic acid?
The InChIKey is XLJZBCXSDOHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)7-5-3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-(dimethylhydrazinylidene)butanoic acid?
4-(dimethylhydrazinylidene)butanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylhydrazinylidene)butanoic acid is sourced from PubChem (CID 91543570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).