2-[ethyl(methyl)hydrazinylidene]butanoic acid

C7H14N2O2 — CID 123584847

IUPAC2-[ethyl(methyl)hydrazinylidene]butanoic acid
SMILESCCC(=NN(C)CC)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-4-6(7(10)11)8-9(3)5-2/h4-5H2,1-3H3,(H,10,11)
InChIKeyBMVPMPOIRYAKEN-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds4

About 2-[ethyl(methyl)hydrazinylidene]butanoic acid

2-[ethyl(methyl)hydrazinylidene]butanoic acid (PubChem CID 123584847) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[ethyl(methyl)hydrazinylidene]butanoic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)hydrazinylidene]butanoic acid
PubChem CID123584847
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[ethyl(methyl)hydrazinylidene]butanoic acid
SMILESCCC(=NN(C)CC)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-4-6(7(10)11)8-9(3)5-2/h4-5H2,1-3H3,(H,10,11)
InChIKeyBMVPMPOIRYAKEN-UHFFFAOYSA-N
XLogP0.79
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
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'}

Analyze 2-[ethyl(methyl)hydrazinylidene]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)hydrazinylidene]butanoic acid?
The IUPAC name of 2-[ethyl(methyl)hydrazinylidene]butanoic acid (CID 123584847) is 2-[ethyl(methyl)hydrazinylidene]butanoic acid.
What is the SMILES notation for 2-[ethyl(methyl)hydrazinylidene]butanoic acid?
The canonical SMILES for 2-[ethyl(methyl)hydrazinylidene]butanoic acid is CCC(=NN(C)CC)C(=O)O.
What is the InChIKey of 2-[ethyl(methyl)hydrazinylidene]butanoic acid?
The InChIKey is BMVPMPOIRYAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-6(7(10)11)8-9(3)5-2/h4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-[ethyl(methyl)hydrazinylidene]butanoic acid?
2-[ethyl(methyl)hydrazinylidene]butanoic acid has a molecular weight of 158.20 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)hydrazinylidene]butanoic acid is sourced from PubChem (CID 123584847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).